Methyl 5'-(6-aminopurin-9-yl)-5'-deoxy-beta-D-ribofuranoside 2',3'-cyclic monophosphate

HCID 192074

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Basic information

CAS: 76281-91-9
Standard SMILES: CCN(CC)CC.COP(=O)(O)O[C@H]1C=C(O)[C@@H](Cn2cnc3c(N)ncnc32)O1
InChIKey: VXXYNNGJYPCHIX-WLYNEOFISA-N
Molecular formula: C17H29N6O6P
Average molar mass: 444.4 g/mol
Monoisotopic mass: 444.18861966

Overview

structure given in first source

Names & identifiers

Preferred name: Methyl 5'-(6-aminopurin-9-yl)-5'-deoxy-beta-D-ribofuranoside 2',3'-cyclic monophosphate
IUPAC: [(2S,5R)-5-[(6-aminopurin-9-yl)methyl]-4-hydroxy-2,5-dihydrofuran-2-yl] methyl hydrogen phosphate;N,N-diethylethanamine

Names & synonyms

76281-91-9Methyl 5'-(6-aminopurin-9-yl)-5'-deoxy-beta-D-ribofuranoside 2',3'-cyclic monophosphateMAD-CYCL AMPRefChem:157654Mad-cylc ampDTXSID30997631[(2S,5R)-5-[(6-aminopurin-9-yl)methyl]-4-hydroxy-2,5-dihydrofuran-2-yl] methyl hydrogen phosphate;N,N-diethylethanamine(2S,5R)-5-[(6-Amino-9H-purin-9-yl)methyl]-4-hydroxy-2,5-dihydrofuran-2-yl methyl hydrogen phosphate--N,N-diethylethanamine (1/1)5-[(6-Amino-9H-purin-9-yl)methyl]-4-hydroxy-2,5-dihydrofuran-2-yl methyl hydrogen phosphate--N,N-diethylethanamine (1/1)

Database identifiers

CAS: 76281-91-9
PubChem CID: 192074
DTXSID: DTXSID30997631

Properties

Computed structural properties

Topological polar surface area: 158 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 547

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