[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C12H18O8 — CID 102215978

IUPAC[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)C(O)=C1O
InChIInChI=1S/C12H18O8/c1-4-17-12-10(16)9(15)11(19-7(3)14)8(20-12)5-18-6(2)13/h8,11-12,15-16H,4-5H2,1-3H3/t8-,11-,12+/m1/s1
InChIKeyUMFJRVKGQIMRHH-FXAINCCUSA-N
MW290.27 g/mol
LogP0.57
Rot. Bonds5

About [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 102215978) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID102215978
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)C(O)=C1O
InChIInChI=1S/C12H18O8/c1-4-17-12-10(16)9(15)11(19-7(3)14)8(20-12)5-18-6(2)13/h8,11-12,15-16H,4-5H2,1-3H3/t8-,11-,12+/m1/s1
InChIKeyUMFJRVKGQIMRHH-FXAINCCUSA-N
XLogP0.57
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate with MolForge

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Related Compounds

[(2R,3R,6S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897404
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(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,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 15742207
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-ethoxy-5-iodooxan-2-yl]methyl acetate
CID 101256995
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867
[(2R,3R,4R)-3,4-diacetyloxy-5-hydroxyiminooxan-2-yl]methyl acetate
CID 173430967
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(2R,3S,6R)-3-acetyloxy-6-methoxy-4-nitro-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102239484

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 102215978) is [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)C(O)=C1O.
What is the InChIKey of [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is UMFJRVKGQIMRHH-FXAINCCUSA-N. The full InChI is InChI=1S/C12H18O8/c1-4-17-12-10(16)9(15)11(19-7(3)14)8(20-12)5-18-6(2)13/h8,11-12,15-16H,4-5H2,1-3H3/t8-,11-,12+/m1/s1.
What are the key properties of [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 290.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-3-acetyloxy-6-ethoxy-4,5-dihydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 102215978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).