[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate

C14H26O8 — CID 162943607

IUPAC[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate
SMILESCOC[C@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)OC
InChIInChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3/t11-,12-,13+,14-/m0/s1
InChIKeyOVCJDQPBVXUBBF-FQUUOJAGSA-N
MW322.35 g/mol
LogP0.17
Rot. Bonds11

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

[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate (PubChem CID 162943607) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate
PubChem CID162943607
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate
SMILESCOC[C@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)OC
InChIInChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3/t11-,12-,13+,14-/m0/s1
InChIKeyOVCJDQPBVXUBBF-FQUUOJAGSA-N
XLogP0.17
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] 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

alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
alpha-D-Glucopyranosyl bromide, tetraacetate
CID 101776
Dianhydro-3,4-diacetylgalactitol
CID 99960
Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
CID 228282
Perseitol heptaacetate
CID 539123
Sorbitol hexaacetate
CID 9802952
4,5-Diacetyloxypentyl acetate
CID 231561
alpha-D-Galactopyranosyl bromide, tetraacetate
CID 102932
[(2S,3S,4S,5S)-2,5-Diacetyloxy-1-deuterio-3,4-dimethoxyhexyl] acetate
CID 15608077
(4,5,6-Triacetyloxy-2-methyloxan-3-yl) acetate
CID 273721
1,5-Anhydro-D-glucitol 2,3,4,6-Tetraacetate
CID 2728909
1,5-Anhydro-D-galactitol 2,3,4,6-tetraacetate
CID 6710916

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate?
The IUPAC name of [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate (CID 162943607) is [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate.
What is the SMILES notation for [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate?
The canonical SMILES for [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate is COC[C@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)OC.
What is the InChIKey of [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate?
The InChIKey is OVCJDQPBVXUBBF-FQUUOJAGSA-N. The full InChI is InChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3/t11-,12-,13+,14-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate?
[(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate has a molecular weight of 322.35 g/mol, XLogP of 0.17, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-5-acetyloxy-2,3,4,6-tetramethoxyhexyl] acetate is sourced from PubChem (CID 162943607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).