[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate

C12H20O7 — CID 143562159

IUPAC[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](OC(C)O)C[C@@H](OC(C)=O)O1
InChIInChI=1S/C12H20O7/c1-7(13)16-6-11-4-10(17-8(2)14)5-12(19-11)18-9(3)15/h8,10-12,14H,4-6H2,1-3H3/t8?,10-,11-,12+/m1/s1
InChIKeyVMYCYHQRXLGKPJ-AGZJKDLHSA-N
MW276.28 g/mol
LogP0.34
Rot. Bonds5

About [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate

[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate (PubChem CID 143562159) has the molecular formula C12H20O7 and a molecular weight of 276.28 g/mol. Its IUPAC name is [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
PubChem CID143562159
Molecular FormulaC12H20O7
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](OC(C)O)C[C@@H](OC(C)=O)O1
InChIInChI=1S/C12H20O7/c1-7(13)16-6-11-4-10(17-8(2)14)5-12(19-11)18-9(3)15/h8,10-12,14H,4-6H2,1-3H3/t8?,10-,11-,12+/m1/s1
InChIKeyVMYCYHQRXLGKPJ-AGZJKDLHSA-N
XLogP0.34
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 88574739
CID 88574739
3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342543
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 142000686
acetic acid;3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342542
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate (CID 143562159) is [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1C[C@@H](OC(C)O)C[C@@H](OC(C)=O)O1.
What is the InChIKey of [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate?
The InChIKey is VMYCYHQRXLGKPJ-AGZJKDLHSA-N. The full InChI is InChI=1S/C12H20O7/c1-7(13)16-6-11-4-10(17-8(2)14)5-12(19-11)18-9(3)15/h8,10-12,14H,4-6H2,1-3H3/t8?,10-,11-,12+/m1/s1.
What are the key properties of [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate?
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate has a molecular weight of 276.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 143562159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).