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C30h29fn2o7 uridine, 5'-o- [bis (IV-methoxyphen) phenylmethyl] -2' -Oxy-2'- fluoro- (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 548,56 | - |
| Melting Point (experimentalem) | 118-120 ° C | - |
| Density (praedicta) | 1.38 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 9.39 ± 0.10 | Most Acidic Temp: XXV ° C |
Canonical SMILES 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)C2F
Isomerici risum dat C (O [c @ h] 1o [C @ h] (c ^ - c ^ = C. (= c ^ = c (c = c5 = (c ^ = c (= c5 c.
INCHI
Inchi = 1s / c30h29fn2o7 / C1-37-22-12-8-20 (9-13-22) XXX (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (XXXV) XXXIII (XXXI (XXXI)
-17-16-16-25 (XXXIV) 32-29 (XXXIII) XXXVI / H3-17,24,26-28,35H, 18h2,1-2H3, (H, 32,34,36) / T24-, 26-, 27-, 28- / M1 / S1
Key Inchi
Cssfzsszxoccjb, yuroidqlsa, n
I aliud nomen huius substantiae
5-O- [bis (IV-methoxyphen) Phenylmethyl] -2' -2' -Oxy-2'-fluorouridine (ACI)
Proprietatibus praesto
Scelerum
Scelerum
| Res | Valor | Conditio | Fons |
| Point liquescens | 118-120 ° C | (I) CAS | |
(I) Penjarla, Srishylam; Nucleosides, nucleeol acida nucleotides & (MMXVIII), XXXVII (IV), 232-247, Caplus
Spectra praesto
1h NMR
13c NMR
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MMMDLXXX | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXXX | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXXX | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXXX | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXXX | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXXX | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDLXX | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMCDXXX | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMD | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCLXXXIX | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | (XII) CC | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (XII) CC | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (XII) CC | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (XII) CC | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (XII) CC | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (XII) CC | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (XII) C | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (XI) DCC | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (VIII) CDLXXX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MMCCCXL | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.98 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.96 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.82 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 4.26 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.979 ± 0.563 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 9.9 x 10-5 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-5 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 10-4 G / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.0 x 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 9.9 x 10-5 g / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.5 x 10-7 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 9.2 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 548,56 | ||
| PKA | 9.39 ± 0.10 | Most Acidic Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.38 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 395,8 ± 5.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 10 | (I) ACD | |
| H acceptors | 9 | (I) ACD | |
| H donos | 2 | (I) ACD | |
| H donator / Acceptor Sum | 11 | (I) ACD | |
| logp | 4.979 ± 0.563 | Temp: XXV ° C | (I) ACD |
| Pondus | 548,56 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CVII A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
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