[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

C10H16O8 — CID 121290489

IUPAC[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OC(C)=O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C10H16O8/c1-4(11)16-3-6-7(13)8(14)9(15)10(18-6)17-5(2)12/h6-10,13-15H,3H2,1-2H3/t6?,7-,8?,9-,10?/m0/s1
InChIKeyNIKIBKZQSQUVOS-IHELMQQZSA-N
MW264.23 g/mol
LogP-2.08
Rot. Bonds3

About [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate (PubChem CID 121290489) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
PubChem CID121290489
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OC(C)=O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C10H16O8/c1-4(11)16-3-6-7(13)8(14)9(15)10(18-6)17-5(2)12/h6-10,13-15H,3H2,1-2H3/t6?,7-,8?,9-,10?/m0/s1
InChIKeyNIKIBKZQSQUVOS-IHELMQQZSA-N
XLogP-2.08
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 15742207
[(3S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 70987499
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 54180904
[(2R,3S,4R)-3,5-diacetyloxy-4-hydroxyoxolan-2-yl]methyl acetate
CID 141190412
[(3S,4S,6R)-3,4,5-trihydroxy-6-[(2R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 121422592
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 14859665
[(3S,6S)-5-[(2S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 154009903
[(3R,5S,6S)-6-[(3S,5S)-2-(acetyloxymethyl)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 121421593
[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
CID 22215551
[(2R,3R,4S,5S,6R)-4-acetyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 102086986
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 11045418
[(2S,3S,4R,5R)-3,4-diacetyloxy-5-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
CID 91858455

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate (CID 121290489) is [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is CC(=O)OCC1OC(OC(C)=O)[C@@H](O)C(O)[C@H]1O.
What is the InChIKey of [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate?
The InChIKey is NIKIBKZQSQUVOS-IHELMQQZSA-N. The full InChI is InChI=1S/C10H16O8/c1-4(11)16-3-6-7(13)8(14)9(15)10(18-6)17-5(2)12/h6-10,13-15H,3H2,1-2H3/t6?,7-,8?,9-,10?/m0/s1.
What are the key properties of [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate?
[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate has a molecular weight of 264.23 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 121290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).