[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate

C9H12O5 — CID 53305412

IUPAC[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCO[C@@H]1C=CC(=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-8-7(11)3-4-9(12-2)14-8/h3-4,8-9H,5H2,1-2H3/t8-,9+/m1/s1
InChIKeyAFPBYROCBIPXBD-BDAKNGLRSA-N
MW200.19 g/mol
LogP0.05
Rot. Bonds3

About [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate

[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate (PubChem CID 53305412) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
PubChem CID53305412
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCO[C@@H]1C=CC(=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-8-7(11)3-4-9(12-2)14-8/h3-4,8-9H,5H2,1-2H3/t8-,9+/m1/s1
InChIKeyAFPBYROCBIPXBD-BDAKNGLRSA-N
XLogP0.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-Dioxabicyclo3.2.1oct-3-en-2-one, (1R,5R)-
CID 5460915
(2S,6R)-2-ethoxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 11367256
[(2S,6R)-5-oxo-2-pentoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305269
[(2S,6R)-2-hexoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305270
(2S,6R)-6-(hydroxymethyl)-2-isopropoxy-2H-pyran-5-one
CID 54585249
(2S,6R)-6-(hydroxymethyl)-2-prop-2-enoxy-2H-pyran-5-one
CID 137635065
(2S,6R)-6-(hydroxymethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2H-pyran-5-one
CID 137648350
[(2S)-5-oxo-2H-pyran-2-yl]methyl butanoate
CID 145962393
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53249072
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
CID 53305122

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate (CID 53305412) is [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate is CO[C@@H]1C=CC(=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate?
The InChIKey is AFPBYROCBIPXBD-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H12O5/c1-6(10)13-5-8-7(11)3-4-9(12-2)14-8/h3-4,8-9H,5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate?
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate has a molecular weight of 200.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 53305412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).