U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14FN2O8P
Molecular Weight 340.1989
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSI-7411

SMILES

C[C@@]1(F)[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O

InChI

InChIKey=JAJZLQMRDFLNSW-VPCXQMTMSA-N
InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14FN2O8P
Molecular Weight 340.1989
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
SOVALDI
Substance Class Chemical
Record UNII
OOL8KAC85O
Record Status Validated (UNII)
Record Version