(2S)-2,3-dihydroxy-2-phosphonopropanoic acid

C3H7O7P — CID 101412434

IUPAC(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
SMILESO=C(O)[C@](O)(CO)P(=O)(O)O
InChIInChI=1S/C3H7O7P/c4-1-3(7,2(5)6)11(8,9)10/h4,7H,1H2,(H,5,6)(H2,8,9,10)/t3-/m0/s1
InChIKeyRVKKEHPFHRUPIR-VKHMYHEASA-N
MW186.06 g/mol
LogP-2.07
Rot. Bonds3

About (2S)-2,3-dihydroxy-2-phosphonopropanoic acid

(2S)-2,3-dihydroxy-2-phosphonopropanoic acid (PubChem CID 101412434) has the molecular formula C3H7O7P and a molecular weight of 186.06 g/mol. Its IUPAC name is (2S)-2,3-dihydroxy-2-phosphonopropanoic acid.

Molecular Properties

Compound Name(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
PubChem CID101412434
Molecular FormulaC3H7O7P
Molecular Weight186.06 g/mol
Exact Mass185.99
IUPAC Name(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
SMILESO=C(O)[C@](O)(CO)P(=O)(O)O
InChIInChI=1S/C3H7O7P/c4-1-3(7,2(5)6)11(8,9)10/h4,7H,1H2,(H,5,6)(H2,8,9,10)/t3-/m0/s1
InChIKeyRVKKEHPFHRUPIR-VKHMYHEASA-N
XLogP-2.07
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-phosphonobutanoic acid
CID 22117039
(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid
CID 21145204
2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
CID 54070061
2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
CID 175746483
2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
CID 19084753
(3-carboxy-3-hydroxy-3-phosphonopropyl)-dimethyl-(2-sulfanylideneethyl)azanium chloride
CID 19084738
2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphonopropanoic acid chloride
CID 19084782
4-hydroxy-3-methyl-2-oxo-3-phosphonobutanoic acid
CID 174900279
2-hydroxy-2-phosphono-4-[1-(2-sulfanylideneethyl)pyrrolidin-1-ium-1-yl]butanoic acid
CID 19084840
2-hydroxyacetic acid;phosphoric acid
CID 23322415
3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphonopropanoic acid chloride
CID 19084745
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173367130

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydroxy-2-phosphonopropanoic acid?
The IUPAC name of (2S)-2,3-dihydroxy-2-phosphonopropanoic acid (CID 101412434) is (2S)-2,3-dihydroxy-2-phosphonopropanoic acid.
What is the SMILES notation for (2S)-2,3-dihydroxy-2-phosphonopropanoic acid?
The canonical SMILES for (2S)-2,3-dihydroxy-2-phosphonopropanoic acid is O=C(O)[C@](O)(CO)P(=O)(O)O.
What is the InChIKey of (2S)-2,3-dihydroxy-2-phosphonopropanoic acid?
The InChIKey is RVKKEHPFHRUPIR-VKHMYHEASA-N. The full InChI is InChI=1S/C3H7O7P/c4-1-3(7,2(5)6)11(8,9)10/h4,7H,1H2,(H,5,6)(H2,8,9,10)/t3-/m0/s1.
What are the key properties of (2S)-2,3-dihydroxy-2-phosphonopropanoic acid?
(2S)-2,3-dihydroxy-2-phosphonopropanoic acid has a molecular weight of 186.06 g/mol, XLogP of -2.07, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydroxy-2-phosphonopropanoic acid is sourced from PubChem (CID 101412434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).