[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid

C4H11O7P — CID 174847741

IUPAC[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@@](O)(CO)[C@@H](O)CO
InChIInChI=1S/C4H11O7P/c5-1-3(7)4(8,2-6)12(9,10)11/h3,5-8H,1-2H2,(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyRQEZGNMRROXGDC-IMJSIDKUSA-N
MW202.10 g/mol
LogP-2.80
Rot. Bonds4

About [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid

[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid (PubChem CID 174847741) has the molecular formula C4H11O7P and a molecular weight of 202.10 g/mol. Its IUPAC name is [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
PubChem CID174847741
Molecular FormulaC4H11O7P
Molecular Weight202.10 g/mol
Exact Mass202.02
IUPAC Name[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@@](O)(CO)[C@@H](O)CO
InChIInChI=1S/C4H11O7P/c5-1-3(7)4(8,2-6)12(9,10)11/h3,5-8H,1-2H2,(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyRQEZGNMRROXGDC-IMJSIDKUSA-N
XLogP-2.80
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.10
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid?
The IUPAC name of [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid (CID 174847741) is [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid.
What is the SMILES notation for [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid?
The canonical SMILES for [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid is O=P(O)(O)[C@@](O)(CO)[C@@H](O)CO.
What is the InChIKey of [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid?
The InChIKey is RQEZGNMRROXGDC-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11O7P/c5-1-3(7)4(8,2-6)12(9,10)11/h3,5-8H,1-2H2,(H2,9,10,11)/t3-,4-/m0/s1.
What are the key properties of [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid?
[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid has a molecular weight of 202.10 g/mol, XLogP of -2.80, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid is sourced from PubChem (CID 174847741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).