[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate

C10H12O6 — CID 10922257

IUPAC[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C10H12O6/c1-6(11)14-5-9-8(15-7(2)12)3-4-10(13)16-9/h3-4,8-9H,5H2,1-2H3/t8-,9+/m0/s1
InChIKeyAIIAIHJFJUDGQO-DTWKUNHWSA-N
MW228.20 g/mol
LogP-0.04
Rot. Bonds3

About [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate

[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate (PubChem CID 10922257) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
PubChem CID10922257
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C10H12O6/c1-6(11)14-5-9-8(15-7(2)12)3-4-10(13)16-9/h3-4,8-9H,5H2,1-2H3/t8-,9+/m0/s1
InChIKeyAIIAIHJFJUDGQO-DTWKUNHWSA-N
XLogP-0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate (CID 10922257) is [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(=O)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The InChIKey is AIIAIHJFJUDGQO-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(11)14-5-9-8(15-7(2)12)3-4-10(13)16-9/h3-4,8-9H,5H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate has a molecular weight of 228.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]methyl acetate is sourced from PubChem (CID 10922257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).