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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H17N5O7S
Molecular Weight 435.411
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4O)[N+]([O-])=O

InChI

InChIKey=UNTSTPIAQOSGHD-LSCFUAHRSA-N
InChI=1S/C17H17N5O7S/c23-4-11-13(25)14(26)17(29-11)21-7-20-12-15(21)18-6-19-16(12)30-5-8-3-9(22(27)28)1-2-10(8)24/h1-3,6-7,11,13-14,17,23-26H,4-5H2/t11-,13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H17N5O7S
Molecular Weight 435.411
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

Substance Class Chemical
Record UNII
R8V77RPA42
Record Status Validated (UNII)
Record Version