[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid

C4H7O5P — CID 10487243

IUPAC[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
SMILESC[C@H]1O[C@@H]1C(=O)P(=O)(O)O
InChIInChI=1S/C4H7O5P/c1-2-3(9-2)4(5)10(6,7)8/h2-3H,1H3,(H2,6,7,8)/t2-,3+/m1/s1
InChIKeyWWXADXJEBNSJDO-GBXIJSLDSA-N
MW166.07 g/mol
LogP-0.52
Rot. Bonds2

About [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid

[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid (PubChem CID 10487243) has the molecular formula C4H7O5P and a molecular weight of 166.07 g/mol. Its IUPAC name is [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid.

Molecular Properties

Compound Name[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
PubChem CID10487243
Molecular FormulaC4H7O5P
Molecular Weight166.07 g/mol
Exact Mass166.00
IUPAC Name[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
SMILESC[C@H]1O[C@@H]1C(=O)P(=O)(O)O
InChIInChI=1S/C4H7O5P/c1-2-3(9-2)4(5)10(6,7)8/h2-3H,1H3,(H2,6,7,8)/t2-,3+/m1/s1
InChIKeyWWXADXJEBNSJDO-GBXIJSLDSA-N
XLogP-0.52
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid?
The IUPAC name of [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid (CID 10487243) is [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid.
What is the SMILES notation for [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid?
The canonical SMILES for [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid is C[C@H]1O[C@@H]1C(=O)P(=O)(O)O.
What is the InChIKey of [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid?
The InChIKey is WWXADXJEBNSJDO-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H7O5P/c1-2-3(9-2)4(5)10(6,7)8/h2-3H,1H3,(H2,6,7,8)/t2-,3+/m1/s1.
What are the key properties of [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid?
[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid has a molecular weight of 166.07 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid is sourced from PubChem (CID 10487243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).