145687-02-1
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Molecular Identity
145687-02-1
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
PubChem CID: 444188
2D Structure
Properties
C27H34N9O15P2+
Molecular Formula
786.60
Molecular Weight
g/mol
786.1650
Exact Mass
Da
-5
XLogP
Drug-like (Lipinski: < 5)
357
TPSA
May have limited oral absorption
10
H-Bond Donors
20
H-Bond Acceptors
1440
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(10)
145687-02-1Pemulen TR 2RefChem:859197DTXSID001054797Flavin-N7 protonated-adenine dinucleotide115891-10-6[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate16372-04-6FABSCHEMBL30887257
Data from PubChem (NCBI)
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