Sofosbuvir 5'-Desphosphate 3'-O-[(S)-Phosphate]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29FN3O9P
Molecular Weight	529.4525
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sofosbuvir 5'-Desphosphate 3'-O-[(S)-Phosphate]

Structure Search

SMILES

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

InChI

InChIKey=IBMLPFZASPUMOW-YBSJRAAASA-N

InChI=1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H29FN3O9P
Molecular Weight	529.4525
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:37:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:37:57 GMT 2025`
Record UNII	MN6VX53PAE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sofosbuvir 5'-Desphosphate 3'-O-[(S)-Phosphate]

Systematic Name

English

L-Alanine, N-[[P(S),2?R]-2?-deoxy-2?-fluoro-2?-methyl-P-phenyl-3?-uridylyl]-, 1-methylethyl ester

Preferred Name

English

N-[[P(S),2?R]-2?-Deoxy-2?-fluoro-2?-methyl-P-phenyl-3?-uridylyl]-L-alanine 1-methylethyl ester

Systematic Name

English

Code System Code Type Description

CAS

1337482-15-1

Created by admin on Wed Apr 02 17:37:57 GMT 2025 , Edited by admin on Wed Apr 02 17:37:57 GMT 2025

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FDA UNII

MN6VX53PAE

Created by admin on Wed Apr 02 17:37:57 GMT 2025 , Edited by admin on Wed Apr 02 17:37:57 GMT 2025

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PUBCHEM

70835448

Created by admin on Wed Apr 02 17:37:57 GMT 2025 , Edited by admin on Wed Apr 02 17:37:57 GMT 2025

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