[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate

Modify Date: 2025-09-02 15:26:14

[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate Structure
[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate structure
Common Name [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate
CAS Number 42558-86-1 Molecular Weight 714.96000
Density 1.64g/cm3 Boiling Point 880.1ºC at 760 mmHg
Molecular Formula C31H22Cl3N5O7S Melting Point N/A
MSDS N/A Flash Point 486.1ºC

 Names

Name [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.64g/cm3
Boiling Point 880.1ºC at 760 mmHg
Molecular Formula C31H22Cl3N5O7S
Molecular Weight 714.96000
Flash Point 486.1ºC
Exact Mass 713.03100
PSA 192.74000
LogP 6.81810
Index of Refraction 1.733
InChIKey JNYKIUKAICBWDK-UHFFFAOYSA-N
SMILES Nc1nc(=S)c2ncn(C3OC(COC(=O)c4ccc(Cl)cc4)C(OC(=O)c4ccc(Cl)cc4)C3OC(=O)c3ccc(Cl)cc3)c2[nH]1

 Synonyms

KC 1259
Tri-O-(p-chlor-benzoyl)-thioguanosin
tris-O-(4-chloro-benzoyl)-6-thio-guanosine
Guanosine,2',3',5'-tris(4-chlorobenzoate)
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