C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 548.56 | - |
Ebe mgbaze (nnwale) | 118-120 Celsius C | - |
Njupụta (buru amụma) | 1.38±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES 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
Isomeric SMILES C (OC[C@H] 1O[C@H]([C@H](F)[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/C30H29FN2O7/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)39-18-24-27 (35)26 (31)28 (40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Igodo InChi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Aha ọzọ maka ihe a
5'-O-[Bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluorouridine (ACI)
Ngwongwo dị
Thermal
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ebe Na-agbaze | 118-120 Celsius C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra dị
1H NMR
13C NMR
Ngwongwo dị |
Usoro ndu |
Chemical |
Njupụta |
Lipinski |
Ọdịdị metụtara |
Usoro ndu
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 3580 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3580 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3580 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3580 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3580 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3580 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3570 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3430 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2500 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 689 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 12200 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12200 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12200 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12200 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12200 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12200 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12100 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 11700 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 8480 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2340 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.98 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.96 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.82 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.26 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 4.979±0.563 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 9.9 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.9 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.4 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 5.0 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Uka Solubility | 9.9 x 10-5 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 1.8 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 9.2 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 548.56 | ||
pKa | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Njupụta | 1.38±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 395.8± 5.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 10 | (1) ACD | |
H Ndị nnabata | 9 | (1) ACD | |
H Ndị na-enye onyinye | 2 | (1) ACD | |
H Donor/Anabata Nchikota | 11 | (1) ACD | |
logP | 4.979±0.563 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 548.56 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Mpaghara elu elu | 107 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR