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S-(2-Hydroxy-5-nitrobenzyl)-6-thioinosine

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Basic information
Standard English name
Cas No. 56964-73-9
Alias (2R,3R,4S,5R)-2-(6-((2-hydroxy-5-nitrobenzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Canonical Smiles [O-][N+](=O)C1=CC=C(O)C(CSC2N=CN=C3C=2N=CN3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1
MDL No. MFCD00005744
Exact Mass 435.08487
Smiles OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)SCC4=CC([N+]([O-])=O)=CC=C4O)O1)O)O
Security information
Character
Storage Condition
Melting Point
Boiling Point 829.7±75.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.87±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi 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
InchiKey UNTSTPIAQOSGHD-LSCFUAHRSA-N
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