(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid

C3H7O9PS — CID 21145204

IUPAC(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid
SMILESO=C(O)[C@](O)(CS(=O)(=O)O)P(=O)(O)O
InChIInChI=1S/C3H7O9PS/c4-2(5)3(6,13(7,8)9)1-14(10,11)12/h6H,1H2,(H,4,5)(H2,7,8,9)(H,10,11,12)/t3-/m0/s1
InChIKeyXPJHIDLYCJYRKI-VKHMYHEASA-N
MW250.12 g/mol
LogP-2.17
Rot. Bonds4

About (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid

(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid (PubChem CID 21145204) has the molecular formula C3H7O9PS and a molecular weight of 250.12 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid
PubChem CID21145204
Molecular FormulaC3H7O9PS
Molecular Weight250.12 g/mol
Exact Mass249.95
IUPAC Name(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid
SMILESO=C(O)[C@](O)(CS(=O)(=O)O)P(=O)(O)O
InChIInChI=1S/C3H7O9PS/c4-2(5)3(6,13(7,8)9)1-14(10,11)12/h6H,1H2,(H,4,5)(H2,7,8,9)(H,10,11,12)/t3-/m0/s1
InChIKeyXPJHIDLYCJYRKI-VKHMYHEASA-N
XLogP-2.17
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate
CID 21145203
(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
CID 101412434
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphonopropanoic acid chloride
CID 19084782
5-hydroxy-5,5-diphosphonopentane-1-sulfonic acid
CID 19091195
2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
CID 175746483
3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphonopropanoic acid chloride
CID 19084745
(3-carboxy-3-hydroxy-3-phosphonopropyl)-dimethyl-(2-sulfanylideneethyl)azanium chloride
CID 19084738
CID 175243698
CID 175243698
phosphoric acid;sulfo hydrogen carbonate
CID 158348290

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid (CID 21145204) is (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid is O=C(O)[C@](O)(CS(=O)(=O)O)P(=O)(O)O.
What is the InChIKey of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid?
The InChIKey is XPJHIDLYCJYRKI-VKHMYHEASA-N. The full InChI is InChI=1S/C3H7O9PS/c4-2(5)3(6,13(7,8)9)1-14(10,11)12/h6H,1H2,(H,4,5)(H2,7,8,9)(H,10,11,12)/t3-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid?
(2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid has a molecular weight of 250.12 g/mol, XLogP of -2.17, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoic acid is sourced from PubChem (CID 21145204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).