[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate

C10H12O6 — CID 11031606

IUPAC[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC(=O)[C@@H]1OC(C)=O
InChIInChI=1S/C10H12O6/c1-6(11)15-5-9-10(16-7(2)12)8(13)3-4-14-9/h3-4,9-10H,5H2,1-2H3/t9-,10+/m1/s1
InChIKeyYTUJZXRXIIWOGE-ZJUUUORDSA-N
MW228.20 g/mol
LogP-0.04
Rot. Bonds3

About [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate

[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate (PubChem CID 11031606) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
PubChem CID11031606
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC(=O)[C@@H]1OC(C)=O
InChIInChI=1S/C10H12O6/c1-6(11)15-5-9-10(16-7(2)12)8(13)3-4-14-9/h3-4,9-10H,5H2,1-2H3/t9-,10+/m1/s1
InChIKeyYTUJZXRXIIWOGE-ZJUUUORDSA-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

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Related Compounds

[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 131843119
(3,4-diacetyloxy-5-iodo-3,4-dihydro-2H-pyran-2-yl)methyl acetate
CID 146163214
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3S)-2-(5-nitrofuran-2-yl)-4-oxo-2,3-dihydropyran-3-yl]oxy]oxan-2-yl]methyl acetate
CID 101152663
[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102215978
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 170093751
[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 14308101
[(2R,3S,4R)-3-acetyloxy-4-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10399332
[(2R,3R,4R)-3,4-diacetyloxy-5-hydroxyiminooxan-2-yl]methyl acetate
CID 173430967

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate (CID 11031606) is [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=CC(=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The InChIKey is YTUJZXRXIIWOGE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(11)15-5-9-10(16-7(2)12)8(13)3-4-14-9/h3-4,9-10H,5H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of [(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
[(2R,3R)-3-acetyloxy-4-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,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate is sourced from PubChem (CID 11031606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).