carbaphosphonate
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid
Molecular Identity
carbaphosphonate
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid
PubChem CID: 445131
2D Structure
Properties
C8H15O8P
Molecular Formula
270.17
Molecular Weight
g/mol
270.0505
Exact Mass
Da
-3.3
XLogP
Drug-like (Lipinski: < 5)
156
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
351
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
carbaphosphonateRefChem:574156(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACIDCRBDB02592NS00069493Q27458938(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexanecarboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to carbaphosphonate
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