S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

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

Structure Search

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:30:08 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:08 GMT 2025`
Record UNII	R8V77RPA42
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(2-HYDROXY-5-NITROBENZYL)THIOINOSINE

Preferred Name

English

S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

Systematic Name

English

Code System Code Type Description

FDA UNII

R8V77RPA42

Created by admin on Tue Apr 01 16:30:08 GMT 2025 , Edited by admin on Tue Apr 01 16:30:08 GMT 2025

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PUBCHEM

20055595

Created by admin on Tue Apr 01 16:30:08 GMT 2025 , Edited by admin on Tue Apr 01 16:30:08 GMT 2025

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CAS

56964-73-9

Created by admin on Tue Apr 01 16:30:08 GMT 2025 , Edited by admin on Tue Apr 01 16:30:08 GMT 2025

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EPA CompTox

DTXSID10601966

Created by admin on Tue Apr 01 16:30:08 GMT 2025 , Edited by admin on Tue Apr 01 16:30:08 GMT 2025

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