[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate

C10H14O5 — CID 152777825

IUPAC[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC[C@@]1(O)C(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)10(13)4-3-5-14-9(10)6-15-8(2)12/h3,5,9,13H,4,6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCUOCRQMIQAPLHQ-NXEZZACHSA-N
MW214.22 g/mol
LogP0.17
Rot. Bonds3

About [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate

[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate (PubChem CID 152777825) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate
PubChem CID152777825
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC[C@@]1(O)C(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)10(13)4-3-5-14-9(10)6-15-8(2)12/h3,5,9,13H,4,6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCUOCRQMIQAPLHQ-NXEZZACHSA-N
XLogP0.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Di(propan-2-yloxy)-2-(1,1,2-tritritioprop-2-enyl)butanedioic acid
CID 53669238
2-(2,3-Dihydrofuran-2-yl)-2-hydroxypropanoic acid
CID 53720705
[(2S,3S,4S)-3-acetyl-3-hydroxy-2-methyl-2,4-dihydropyran-4-yl] acetate
CID 57011865
3-(2-Hydroxy-2-methylpent-4-enoyl)oxypropanoic acid
CID 87098102
3-Ethoxycarbonyl-3-hydroxyhex-5-enoic acid
CID 87375244
3-Butoxycarbonyl-3-hydroxyhex-5-enoic acid
CID 87558977
(3R)-3-butoxycarbonyl-3-hydroxyhex-5-enoic acid
CID 88964953
2-ethyl-3-hydroxy-4-oxo-3H-pyran-2-carboxylic acid
CID 160214173
(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid
CID 167015601
3-Hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene
CID 175091003
[(2R,3R)-3-hydroxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11819756
(3-Hydroxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate
CID 73116467

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate (CID 152777825) is [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=CC[C@@]1(O)C(C)=O.
What is the InChIKey of [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate?
The InChIKey is CUOCRQMIQAPLHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(11)10(13)4-3-5-14-9(10)6-15-8(2)12/h3,5,9,13H,4,6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate?
[(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-acetyl-3-hydroxy-2,4-dihydropyran-2-yl]methyl acetate is sourced from PubChem (CID 152777825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).