Tiazofurin adenine dinucleotide

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

CAS: 83285-83-0

Molecular Formula	`C19H25N7O14P2S`
Molecular Weight	669.5 g/mol
LogP	-5.8
Topological Polar Surface Area	356.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	20
Rotatable Bonds	11
Exact Mass	669.06555
Heavy Atoms	43
Complexity	1120.0

Chemical Identifiers

CAS Number	83285-83-0
SMILES	`C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N`
InChIKey	`INQLNSVYIFCUML-QZTLEVGFSA-N`

📖 Product Overview

Tiazofurin adenine dinucleotide (CAS: 83285-83-0) is a chemical compound with molecular formula C19H25N7O14P2S and molecular weight 669.5 g/mol. Its IUPAC systematic name is [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate. LogP -5.8 Topological Polar Surface Area 356.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 20 Rotatable Bonds 11 Exact Mass 669.06555 Heavy Atoms 43 Complexity 1120.0 InChI Key: INQLNSVYIFCUML-QZTLEVGFSA-N. SMILES: C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.

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