[(2S)-1,2,3-trihydroxypropyl]phosphonic acid

C3H9O6P — CID 18603786

IUPAC[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
SMILESO=P(O)(O)C(O)[C@@H](O)CO
InChIInChI=1S/C3H9O6P/c4-1-2(5)3(6)10(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-,3?/m0/s1
InChIKeyCRSOIYXNFFSUFD-SCQFTWEKSA-N
MW172.07 g/mol
LogP-2.16
Rot. Bonds3

About [(2S)-1,2,3-trihydroxypropyl]phosphonic acid

[(2S)-1,2,3-trihydroxypropyl]phosphonic acid (PubChem CID 18603786) has the molecular formula C3H9O6P and a molecular weight of 172.07 g/mol. Its IUPAC name is [(2S)-1,2,3-trihydroxypropyl]phosphonic acid.

Molecular Properties

Compound Name[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
PubChem CID18603786
Molecular FormulaC3H9O6P
Molecular Weight172.07 g/mol
Exact Mass172.01
IUPAC Name[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
SMILESO=P(O)(O)C(O)[C@@H](O)CO
InChIInChI=1S/C3H9O6P/c4-1-2(5)3(6)10(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-,3?/m0/s1
InChIKeyCRSOIYXNFFSUFD-SCQFTWEKSA-N
XLogP-2.16
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2S)-1,2,3-trihydroxypropyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,2,3-trihydroxypropyl)phosphinic acid
CID 71336161
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid
CID 87770719
(2R,3S)-pentane-1,2,3,4-tetrol;phosphoric acid
CID 159509366
pentane-1,2,3,4-tetrol;phosphoric acid
CID 174620761
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
CID 88598237
phosphonomethylphosphonic acid;2,3,4,5-tetrahydroxypentanal
CID 174934677
(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol
CID 140970562
CID 59074447
CID 59074447
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,2,3-trihydroxypropyl]phosphonic acid?
The IUPAC name of [(2S)-1,2,3-trihydroxypropyl]phosphonic acid (CID 18603786) is [(2S)-1,2,3-trihydroxypropyl]phosphonic acid.
What is the SMILES notation for [(2S)-1,2,3-trihydroxypropyl]phosphonic acid?
The canonical SMILES for [(2S)-1,2,3-trihydroxypropyl]phosphonic acid is O=P(O)(O)C(O)[C@@H](O)CO.
What is the InChIKey of [(2S)-1,2,3-trihydroxypropyl]phosphonic acid?
The InChIKey is CRSOIYXNFFSUFD-SCQFTWEKSA-N. The full InChI is InChI=1S/C3H9O6P/c4-1-2(5)3(6)10(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-,3?/m0/s1.
What are the key properties of [(2S)-1,2,3-trihydroxypropyl]phosphonic acid?
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid has a molecular weight of 172.07 g/mol, XLogP of -2.16, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,2,3-trihydroxypropyl]phosphonic acid is sourced from PubChem (CID 18603786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).