[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate

C14H20O10 — CID 11089343

IUPAC[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKeySHBHJRVMGYVXKK-KSTCHIGDSA-N
MW348.30 g/mol
LogP-0.94
Rot. Bonds5

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

[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate (PubChem CID 11089343) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
PubChem CID11089343
Molecular FormulaC14H20O10
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKeySHBHJRVMGYVXKK-KSTCHIGDSA-N
XLogP-0.94
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate (CID 11089343) is [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
The InChIKey is SHBHJRVMGYVXKK-KSTCHIGDSA-N. The full InChI is InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate?
[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate has a molecular weight of 348.30 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 11089343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).