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Product details

名称

Sofosbuvir impurity A

别名

索非布韦杂质A

英文名称

Sofosbuvir impurity A

货号

S648637-5mg

包装规格

5mg

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Sofosbuvir impurity A, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity. Form:Solid IC50& Target:HCV

生化机理

索非布韦杂质 A 是索非布韦的非对映异构体，是索非布韦的杂质。索非布韦（PSI-7977）是一种 HCV RNA 复制抑制剂，具有很强的抗丙型肝炎病毒活性。

CAS号

1496552-16-9

分子式

C22H29FN3O9P

分子量

529.45 g/mol

PubChem编号

73425559

Isomeric SMILES

C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

IIUPAC Name

propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

INCHI

1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1

InChi Key

TTZHDVOVKQGIBA-KHFYHRBSSA-N

Smiles

CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

溶解性

DMSO : 100 mg/mL (188.88 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

529.163 Da

单同位素质量Monoisotopic Mass

529.163 Da

拓扑极表面积Topological Polar Surface Area

153.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

913

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

Reaxy-Rn

29225463

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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