C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

hua

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

3736-77-4

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 226.19 -
Ira Whakarewa (Whakamatau) 234-235 °C -
Ira Kohua (I Matapaetia) 456.3±55.0 °C Perehi: 760 Torr
Kiato (I Matapaetia) 2.01±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr
pKa (I matapaetia) 12.55±0.40 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

Nga Ataata Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
NGĀ ATA ISOMERIKA
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Kī InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Ētahi atu Ingoa mō tēnei Matū
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2 -a] pyrimidin-6-one (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; 2,2′ -Anhydrouridine; 2,2′ -O-Cyclouridine; NSC 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine

Ngā Āhuatanga Whakamātautau

Nga rawa e waatea ana
Optical me te Marara
Ngawha

Optical and Scatering

Taonga Uara Tikanga Puna
Te Mana Hurihuri Optical -19 deg Wairewa: Methanol; λ: 589.3 nm; Te Mahana: 26 °C (1) CAS

(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Ngawha

Taonga Uara Tikanga Puna
Te Whakarewa 250-253 °C   (1) CAS
Te Whakarewa 246 °C Wairewa: Ewaro; Isopropanol (2) CAS
Te Whakarewa 242-245 °C   (3) CAS
Te Whakarewa 242-243 °C   (4) CAS
Te Whakarewa 236-238 °C (whakapoke)   (5) CAS
Te Whakarewa 234 °C   (6) CAS
Te Whakarewa 234-235 °C   (7) CAS
Te Whakarewa 233-234 °C (decomp) Wairewa: Mewaro (8) CAS
Te Whakarewa Tirohia te Kuputuhi Katoa   (9) CAS

(1) Lin, Kun-I.; Journal of the Chinese Chemical Society (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus

(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic acids, (2006), 25(7), 719-734, CAplus

(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus

(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic acids, (2016), 35(8), 410-425, CAplus

(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAplus

(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, CAplus

(8) Li, Heting; Whakawhitiwhiti Hangarite, (2006), 36(14), 1933-1940, CAplus

(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Spectra Whakamatau

Kei te waatea te Spectra
1 H NMR
13 C NMR
IR
Kei te waatea te Spectra
Mass

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana
Ngawha

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 1.0 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 10; Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 7.66 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 4; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 5; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 7; Te Mamahana: 25 °C (1) ACD
Koc 7.66 pH 8; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 7.66 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 7.64 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 2; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.91 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP -0.906±0.555 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 4.7 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.7 g/L Te Wai Kore Kore Te pH 6.91; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 0.021 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 2; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 3; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 5; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 6; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 0.021 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 10; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.021 mol/L Te Wai Kore Kore Te pH 6.91; Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 226.19    
pKa 12.55±0.40 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa -4.68±0.60 Te Mahana Matua: 25 °C (1) ACD
Pehenga Kohu 3.04 x 10-10 Torr Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Kiato

Taonga Uara Tikanga Puna
Kiato 2.01±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 112.3±7.0 cm3/mol Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 3 (1) ACD
H Nga Kaiwhiwhi 7 (1) ACD
H Nga Kaituku 2 (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 9 (1) ACD
rangitakiP -0.906±0.555 Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 226.19

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara Puna Tikanga
Rohe Mata Polar 91.6 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Ngawha

Taonga Uara Tikanga Puna
Kohuatanga 456.3±55.0 °C Perehi: 760 Torr (1) ACD

 

Taonga Uara Tikanga Puna
Enthalpy of Vaporization 82.62±6.0 kJ/mol Perehi: 760 Torr (1) ACD
Tohu Kohiko 229.8±31.5 °C   (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1 H NMR
13 C NMR

Nga korero morearea a GHS

Puna Tauākī Pūmate Waehere
H302 He kino ki te horomia Te Tari Matū a te Pakeha (ECHA) Whakarōpū me te Tapanga

Inventory - Whakamōhiotanga whakarōpūtanga me te tapanga - te nuinga o nga whakamohiotanga, European Chemical Agency (ECHA)

Te Whakar


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