[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate

C6H10O4 — CID 11062516

IUPAC[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H]1CO
InChIInChI=1S/C6H10O4/c1-4(8)9-3-6-5(2-7)10-6/h5-7H,2-3H2,1H3/t5-,6+/m0/s1
InChIKeyAYJWJMIDRWEONW-NTSWFWBYSA-N
MW146.14 g/mol
LogP-0.69
Rot. Bonds3

About [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate

[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate (PubChem CID 11062516) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
PubChem CID11062516
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H]1CO
InChIInChI=1S/C6H10O4/c1-4(8)9-3-6-5(2-7)10-6/h5-7H,2-3H2,1H3/t5-,6+/m0/s1
InChIKeyAYJWJMIDRWEONW-NTSWFWBYSA-N
XLogP-0.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R,5S)-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methyl acetate
CID 11095401
[3-(hydroxymethyl)oxiran-2-yl]methyl propanoate
CID 131856203
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 121422592
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4-methoxy-3,5-diphenyloxan-2-yl]methyl acetate
CID 102300415
2-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 11269290
2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 22498105
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate (CID 11062516) is [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H]1CO.
What is the InChIKey of [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate?
The InChIKey is AYJWJMIDRWEONW-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(8)9-3-6-5(2-7)10-6/h5-7H,2-3H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate?
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate has a molecular weight of 146.14 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate is sourced from PubChem (CID 11062516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).