(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate

C3H6O9PS- — CID 21145203

IUPAC(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate
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)/p-1/t3-/m0/s1
InChIKeyXPJHIDLYCJYRKI-VKHMYHEASA-M
MW249.11 g/mol
LogP-3.51
Rot. Bonds4

About (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate

(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate (PubChem CID 21145203) has the molecular formula C3H6O9PS- and a molecular weight of 249.11 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate
PubChem CID21145203
Molecular FormulaC3H6O9PS-
Molecular Weight249.11 g/mol
Exact Mass248.95
IUPAC Name(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate
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)/p-1/t3-/m0/s1
InChIKeyXPJHIDLYCJYRKI-VKHMYHEASA-M
XLogP-3.51
TPSA172.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 5-3.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-sulfopropanoic acid
CID 21145204
(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
CID 101412434
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
5-hydroxy-5,5-diphosphonopentane-1-sulfonic acid
CID 19091195
CID 175243698
CID 175243698
ethane-1,1,1,2-tetrasulfonic acid
CID 22184362
3-amino-3,3-diphosphonopropane-1-sulfonic acid
CID 18756970
2,2,3,3,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 171922793
trisodium;azane;2-hydroxypropane-1,2,3-tricarboxylate;phosphoric acid;dihydrate
CID 174861239
trisodium;carbonic acid;2-hydroxypropane-1,2,3-tricarboxylate;sulfuric acid
CID 172801344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate?
The IUPAC name of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate (CID 21145203) is (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate.
What is the SMILES notation for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate?
The canonical SMILES for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate 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-sulfopropanoate?
The InChIKey is XPJHIDLYCJYRKI-VKHMYHEASA-M. 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)/p-1/t3-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate?
(2R)-2-hydroxy-2-phosphono-3-sulfopropanoate has a molecular weight of 249.11 g/mol, XLogP of -3.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phosphono-3-sulfopropanoate is sourced from PubChem (CID 21145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).