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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FN3O10P
Molecular Weight 545.4519
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADAFOSBUVIR

SMILES

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

InChI

InChIKey=NIJYGVDQZBBONK-SEUXLIJBSA-N
InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29FN3O10P
Molecular Weight 545.4519
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S83770Y75R
Record Status Validated (UNII)
Record Version