Molecules/[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
Molecular Identity
[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
PubChem CID: 446210
2D Structure
Properties
C9H21O17P3
Molecular Formula
494.17
Molecular Weight
g/mol
493.9992
Exact Mass
Da
-7.8
XLogP
Drug-like (Lipinski: < 5)
290
TPSA
May have limited oral absorption
10
H-Bond Donors
17
H-Bond Acceptors
673
Complexity
SMILES
Canonical SMILES
SMILES: C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)OIsomeric SMILES
SMILES: C([C@H](COP(=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)OSynonyms(1)
IBS
Data from PubChem (NCBI)
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Molecular Structure
[(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
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Drug Network
Trials and conditions connected to [(2R)-2,3-dihydroxypropyl] [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
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