[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate

C14H20O9 — CID 14078932

IUPAC[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H20O9/c1-7(15)19-6-12-14(22-10(4)18)11(20-8(2)16)5-13(23-12)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyKLEORKVJPIJWNG-YIYPIFLZSA-N
MW332.31 g/mol
LogP0.09
Rot. Bonds5

About [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate

[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate (PubChem CID 14078932) has the molecular formula C14H20O9 and a molecular weight of 332.31 g/mol. Its IUPAC name is [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
PubChem CID14078932
Molecular FormulaC14H20O9
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H20O9/c1-7(15)19-6-12-14(22-10(4)18)11(20-8(2)16)5-13(23-12)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyKLEORKVJPIJWNG-YIYPIFLZSA-N
XLogP0.09
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-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

[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
[(2R,3R,4R,6S)-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
CID 100922214
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate (CID 14078932) is [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate?
The InChIKey is KLEORKVJPIJWNG-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H20O9/c1-7(15)19-6-12-14(22-10(4)18)11(20-8(2)16)5-13(23-12)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate?
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate has a molecular weight of 332.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 14078932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).