bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

CAS: 158700-26-6

Molecular Formula	`C20H27N10O16P3`
Molecular Weight	756.4 g/mol
LogP	-7.2
Topological Polar Surface Area	387.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	24
Rotatable Bonds	12
Exact Mass	756.0819
Heavy Atoms	49
Complexity	1240.0

Chemical Identifiers

CAS Number	158700-26-6
SMILES	`C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N`
InChIKey	`QCICUPZZLIQAPA-UHFFFAOYSA-N`

📖 Product Overview

bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate (CAS: 158700-26-6) is a chemical compound with molecular formula C20H27N10O16P3 and molecular weight 756.4 g/mol. Its IUPAC systematic name is bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate. LogP -7.2 Topological Polar Surface Area 387.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 24 Rotatable Bonds 12 Exact Mass 756.0819 Heavy Atoms 49 Complexity 1240.0 InChI Key: QCICUPZZLIQAPA-UHFFFAOYSA-N. SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.

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