[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate

C12H18O9 — CID 155096088

IUPAC[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OCC1O[C@@H](O)C(OC(C)=O)C(OC(C)=O)C1O
InChIInChI=1S/C12H18O9/c1-5(13)18-4-8-9(16)10(19-6(2)14)11(12(17)21-8)20-7(3)15/h8-12,16-17H,4H2,1-3H3/t8?,9?,10?,11?,12-/m1/s1
InChIKeyLFSNZQYOCQSGEL-MGEHAVSKSA-N
MW306.27 g/mol
LogP-1.51
Rot. Bonds4

About [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate

[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate (PubChem CID 155096088) has the molecular formula C12H18O9 and a molecular weight of 306.27 g/mol. Its IUPAC name is [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate
PubChem CID155096088
Molecular FormulaC12H18O9
Molecular Weight306.27 g/mol
Exact Mass306.10
IUPAC Name[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OCC1O[C@@H](O)C(OC(C)=O)C(OC(C)=O)C1O
InChIInChI=1S/C12H18O9/c1-5(13)18-4-8-9(16)10(19-6(2)14)11(12(17)21-8)20-7(3)15/h8-12,16-17H,4H2,1-3H3/t8?,9?,10?,11?,12-/m1/s1
InChIKeyLFSNZQYOCQSGEL-MGEHAVSKSA-N
XLogP-1.51
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
[(3R,6R)-4-acetyloxy-3-hydroxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 118473583
[(2R,3R,4S,5S,6R)-3-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 56627042
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 11045418
[(2R,3R,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4S,5R,6R)-4,5-bis[[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxyoxan-2-yl]oxy]-3,6-dihydroxyoxan-2-yl]methoxy]-5-hydroxyoxan-2-yl]methyl acetate
CID 91849922
[(5S)-3-acetyloxy-4,6-dihydroxy-5-methyloxan-2-yl]methyl acetate
CID 121245910
[(2R,3R,4S,5S,6R)-4-acetyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 102086986
[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-hydroxy-3-[(2S,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 99647589
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 100956185
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 101009628
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate
CID 86736895

Frequently Asked Questions

What is the IUPAC name of [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate (CID 155096088) is [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate is CC(=O)OCC1O[C@@H](O)C(OC(C)=O)C(OC(C)=O)C1O.
What is the InChIKey of [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate?
The InChIKey is LFSNZQYOCQSGEL-MGEHAVSKSA-N. The full InChI is InChI=1S/C12H18O9/c1-5(13)18-4-8-9(16)10(19-6(2)14)11(12(17)21-8)20-7(3)15/h8-12,16-17H,4H2,1-3H3/t8?,9?,10?,11?,12-/m1/s1.
What are the key properties of [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate?
[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate has a molecular weight of 306.27 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 155096088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).