C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315

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C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 721.80 -
Ira Whakarewa (Whakamatau) 107-110 °C -
Kiato (I Matapaetia) 1.26±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr
pKa (I Matapaetia) 8.60±0.40 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

NGĀ ATA KANAKA O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
NGĀ ATA ISOMER
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Kī InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ētahi atu Ingoa mō tēnei Matū
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 PAGE: 57 kerēme RNA; 12: PN: US20030170636 PAGE: 17 i kii R NA; 13: PN: US20030212017 PAGE: 19 i kii R NA; 14: PN: US20030

211606 PAGE: 19 i kii R NA; 15: PN: US20040005569 PAGE: 22 i kii R NA; 16: PN: US20040006030 PAGE: 22 i kii R NA; 16: PN: US20040014048 PAGE: 20 i kii R NA; 17: PN: US20030171313 PAGE: 9 i kii R NA; 17: PN: US20040005565 PAGE: 17- 22 kerēme RNA; 17: PN: US20040005570 PAGE: 20 i kii R NA; 17: PN: US20040014047 PAGE: 20 i kii R NA; 17: PN: US20040 014050 PAGE: 20 i kii R NA; 18: PN: US20030198965 PAGE: 19 i kii R NA; 18: PN: US20040014699 PAGE: 20 i kii R NA; 19: PN: US20040006029 PAGE: 23 i kii R NA; 19: PN: WO03106645 PAGE: 71 i kii R NA; 59: PN: US20030166592 PAGE: 15 kerēme RNA; 6: PN: WO2005006958 PAGE: 62 i kii R NA; 83: PN: US20040171566 PAGE: 18 i kii R NA; 8: PN: WO2005007825
PAGE: 62 i kii R NA; 90: PN: US20040005707 PAGE: 20 i kii R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytriyl-5-
methylcytidine

Ngā Āhuatanga Whakamātautau

Nga rawa e waatea ana
Ngawha

Ngawha

Taonga Uara Tikanga Puna
Te Whakarewarewa 107-110 °C (1) CAS

(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic acids, (2018), 37(4), 232-247, CAplus

Spectra Whakamatau

Kei te waatea te Spectra
1H NMR
13C NMR

Nga Taonga Matapae

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 291 pH 1; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 644 pH 2; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3690 pH 3; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 15600 pH 4; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 23700 pH 5; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 24800 pH 6; Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 23300 pH 7; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 14100 pH 8; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3010 pH 9; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 558 pH 10; Te Mahana: 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 569 pH 1; Te Mahana: 25 °C (1) ACD
Koc 1260 pH 2; Te Mahana: 25 °C (1) ACD
Koc 7210 pH 3; Te Mahana: 25 °C (1) ACD
Koc 30400 pH 4; Te Mahana: 25 °C (1) ACD
Koc 46300 pH 5; Te Mahana: 25 °C (1) ACD
Koc 48500 pH 6; Te Mahana: 25 °C (1) ACD
Koc 45500 pH 7; Te Mahana: 25 °C (1) ACD
Koc 27500 pH 8; Te Mahana: 25 °C (1) ACD
Koc 5890 pH 9; Te Mahana: 25 °C (1) ACD
Koc 1090 pH 10; Te Mahana: 25 °C (1) ACD
rangitakiD 4.16 pH 1; Te Mahana: 25 °C (1) ACD
rangitakiD 4.50 pH 2; Te Mahana: 25 °C (1) ACD
rangitakiD 5.26 pH 3; Te Mahana: 25 °C (1) ACD
rangitakiD 5.88 pH 4; Te Mahana: 25 °C (1) ACD
rangitakiD 6.07 pH 5; Te Mahana: 25 °C (1) ACD
rangitakiD 6.09 pH 6; Te Mahana: 25 °C (1) ACD
rangitakiD 6.06 pH 7; Te Mahana: 25 °C (1) ACD
rangitakiD 5.84 pH 8; Te Mahana: 25 °C (1) ACD
rangitakiD 5.17 pH 9; Te Mahana: 25 °C (1) ACD
rangitakiD 4.44 pH 10; Te Mahana: 25 °C (1) ACD
rangitakiP 6.093±0.720 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 1.3 x 10-4 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 0.011 g/L pH 1; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.0 x 10-3 g/L pH 2; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 8.7 x 10-4 g/L pH 3; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.1 x 10-4 g/L pH 4; Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Wairewa Papatipu 1.4 x 10-4 g/L pH 5; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.3 x 10-4 g/L pH 6; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-4 g/L pH 7; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.3 x 10-4 g/L pH 8; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.1 x 10-3 g/L pH 9; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.8 x 10-3 g/L pH 10; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-4 g/L Te Wai Kore Kore Te pH 6.97; Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.8 x 10-7 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-5 mol/L pH 1; Te Mahana: 25 °C (1) ACD
Molar Solubility 6.9 x 10-6 mol/L pH 2; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.2 x 10-6 mol/L pH 3; Te Mahana: 25 °C (1) ACD
Molar Solubility 2.9 x 10-7 mol/L pH 4; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.9 x 10-7 mol/L pH 5; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 6; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.9 x 10-7 mol/L pH 7; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.2 x 10-7 mol/L pH 8; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-6 mol/L pH 9; Te Mahana: 25 °C (1) ACD
Molar Solubility 8.0 x 10-6 mol/L pH 10; Te Mahana: 25 °C (1) ACD
Molar Solubility 1.9 x 10-7 mol/L Te Wai Kore Kore Te pH 6.97; Te Mahana: 25 °C (1) ACD
Taumaha rāpoi 721.80    
pKa 8.60±0.40 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 3.87±0.20 Te Mahana Matua: 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 1.26±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 572.5±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 15 (1) ACD

 

Taonga Uara Tikanga Puna
H Nga Kaiwhiwhi 12   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 14   (1) ACD
rangitakiP 6.093±0.720 Te Mahana: 25 °C (1) ACD
Taumaha rāpoi 721.80    

(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

Tikanga

Puna
Rohe Mata Polar 137 A2 (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
1H NMR
13C NMR

Nga korero morearea a GHS

Waehere Tauākī mōrearea Puna
H335 Ka raru pea te manawa European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam
H319 Ka nui te mamae o te kanohi European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam
H315 Ka whakaparahako te kiri European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam

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