[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate

C8H16O7 — CID 18605700

IUPAC[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h5-9,11-14H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyXEMCIUAYUWMMMF-WCTZXXKLSA-N
MW224.21 g/mol
LogP-3.01
Rot. Bonds6

About [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate

[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate (PubChem CID 18605700) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
PubChem CID18605700
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h5-9,11-14H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyXEMCIUAYUWMMMF-WCTZXXKLSA-N
XLogP-3.01
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 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)-2,3,4,5,6-pentahydroxyhexyl] acetate?
The IUPAC name of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate (CID 18605700) is [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate?
The canonical SMILES for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate is CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate?
The InChIKey is XEMCIUAYUWMMMF-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h5-9,11-14H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate?
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate has a molecular weight of 224.21 g/mol, XLogP of -3.01, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate is sourced from PubChem (CID 18605700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).