Diadenosine tetraphosphate

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

CAS: 5542-28-9

Molecular Formula	`C20H28N10O19P4`
Molecular Weight	836.4 g/mol
LogP	-8.3
Topological Polar Surface Area	434.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	27
Rotatable Bonds	14
Exact Mass	836.0483
Heavy Atoms	53
Complexity	1410.0

Chemical Identifiers

CAS Number	5542-28-9
SMILES	`C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=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	`YOAHKNVSNCMZGQ-XPWFQUROSA-N`

📖 Product Overview

Diadenosine tetraphosphate (CAS: 5542-28-9) is a chemical compound with molecular formula C20H28N10O19P4 and molecular weight 836.4 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-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate. LogP -8.3 Topological Polar Surface Area 434.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 27 Rotatable Bonds 14 Exact Mass 836.0483 Heavy Atoms 53 Complexity 1410.0 InChI Key: YOAHKNVSNCMZGQ-XPWFQUROSA-N. SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=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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