Hosphonamidic acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[2-(1H-indol-3-yl)ethyl]phosphonamidic acid
Molecular Identity
Hosphonamidic acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[2-(1H-indol-3-yl)ethyl]phosphonamidic acid
PubChem CID: 101437085
2D Structure
Properties
C20H24N7O6P
Molecular Formula
489.40
Molecular Weight
g/mol
489.1526
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
194
TPSA
May have limited oral absorption
6
H-Bond Donors
11
H-Bond Acceptors
754
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)OIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OSynonyms(6)
TpAdhosphonamidic acidSCHEMBL29349957[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p hosphonamidic acid6UR
Data from PubChem (NCBI)
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