C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

hua

C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 546.57 -
Ira Whakarewa (Whakamatau) 111-112 °C Wairewa: Ethyl acetate
Kiato (I Matapaetia) 1.343±0.06 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr
pKa (I Matapaetia) 9.39±0.10 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

MATE O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
NGĀ ATA ISOMER C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
Kī InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Ētahi atu Ingoa mō tēnei Matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI);Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI);5′-Dimethoxytriyl uridine;5′-O-(4,4′-Dimethoxytriyl)uridine

Ngā Āhuatanga Whakamātautau

Nga rawa e waatea ana
Ngawha

Ngawha

Taonga Uara Tikanga

Puna

Te Whakarewarewa 122-123 °C    

(1) CAS

Te Whakarewarewa 111-112 °C Wairewa: Ethyl acetate

(2) CAS

Te Whakarewarewa Tirohia te Kuputuhi Katoa    

(3) CAS

(1) Zekri, Negar;Bulletin of the Chemical Society of Etiopia, (2010), 24(2), 299-304, CAplus

(2) Patil, Premanand Ramrao;Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus

(3) Khalafi-Nezhad, Ali;Nga Reta Tetrahedron, (2004), 45(36), 6737-6739, CAplus

Spectra Whakamatau

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

Nga Taonga Matapae

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 904 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 904 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 904 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 904 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 904 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 904 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 900 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 861 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 602 pH 9;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 156 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 4550 pH 1;Te Mahana: 25 °C (1) ACD
Koc 4550 pH 2;Te Mahana: 25 °C (1) ACD
Koc 4550 pH 3;Te Mahana: 25 °C (1) ACD
Koc 4550 pH 4;Te Mahana: 25 °C (1) ACD
Koc 4550 pH 5;Te Mahana: 25 °C (1) ACD
Koc 4540 pH 6;Te Mahana: 25 °C (1) ACD
Koc 4520 pH 7;Te Mahana: 25 °C (1) ACD
Koc 4330 pH 8;Te Mahana: 25 °C (1) ACD
Koc 3030 pH 9;Te Mahana: 25 °C (1) ACD
Koc 785 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 2;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 4.19 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 4.17 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 4.02 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 3.43 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 4.192±0.628 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 3.2 x 10-4 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L pH 7;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Wairewa Papatipu 3.3 x 10-4 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 4.8 x 10-4 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.9 x 10-3 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.2 x 10-4 g/L Te Wai Kore Kore Te pH 6.99;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 6.1 x 10-7 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 8.7 x 10-7 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.4 x 10-6 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L Te Wai Kore Kore Te pH 6.99;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 546.57    
pKa 9.39±0.10 Te Mahana Waiwawa Nui: 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 1.343±0.06 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD
Rōrahi Moara 406.9±3.0 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 11   (1) ACD
H Nga Kaiwhiwhi 10   (1) ACD
H Nga Kaituku 3   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 13   (1) ACD
rangitakiP 4.192±0.628 Te Mahana: 25 °C (1) ACD
 

 

Taonga Uara

Tikanga

Puna
Taumaha Molecular 546.57

(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 127 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


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