(3-methyloxiran-2-yl)phosphonic acid

C3H7O4P — CID 3417

IUPAC(3-methyloxiran-2-yl)phosphonic acid
SMILESCC1OC1P(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)
InChIKeyYMDXZJFXQJVXBF-UHFFFAOYSA-N
MW138.06 g/mol
LogP-0.09
Rot. Bonds1

About (3-methyloxiran-2-yl)phosphonic acid

(3-methyloxiran-2-yl)phosphonic acid (PubChem CID 3417) has the molecular formula C3H7O4P and a molecular weight of 138.06 g/mol. Its IUPAC name is (3-methyloxiran-2-yl)phosphonic acid.

Molecular Properties

Compound Name(3-methyloxiran-2-yl)phosphonic acid
PubChem CID3417
Molecular FormulaC3H7O4P
Molecular Weight138.06 g/mol
Exact Mass138.01
IUPAC Name(3-methyloxiran-2-yl)phosphonic acid
SMILESCC1OC1P(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)
InChIKeyYMDXZJFXQJVXBF-UHFFFAOYSA-N
XLogP-0.09
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphomycin calcium salt
CID 45055415
N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine
CID 173458386
magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
CID 91617932
[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
CID 10487243
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
[(1,3-dihydroxy-2-methylpropan-2-yl)amino]oxy-[(2R,3S)-3-methyloxiran-2-yl]phosphinic acid
CID 161313914
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
CID 71458097
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
CID 11642921
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
CID 14311455
3-(hydroxymethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
CID 174806147
magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid
CID 18475087

Frequently Asked Questions

What is the IUPAC name of (3-methyloxiran-2-yl)phosphonic acid?
The IUPAC name of (3-methyloxiran-2-yl)phosphonic acid (CID 3417) is (3-methyloxiran-2-yl)phosphonic acid.
What is the SMILES notation for (3-methyloxiran-2-yl)phosphonic acid?
The canonical SMILES for (3-methyloxiran-2-yl)phosphonic acid is CC1OC1P(=O)(O)O.
What is the InChIKey of (3-methyloxiran-2-yl)phosphonic acid?
The InChIKey is YMDXZJFXQJVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6).
What are the key properties of (3-methyloxiran-2-yl)phosphonic acid?
(3-methyloxiran-2-yl)phosphonic acid has a molecular weight of 138.06 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxiran-2-yl)phosphonic acid is sourced from PubChem (CID 3417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).