[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate

C14H26O8 — CID 24745070

IUPAC[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate
SMILES[2H]C(OC(C)=O)[C@@H](OC)[C@@H](OC)[C@@H](OC)[C@H](COC)OC(C)=O
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+/m1/s1/i8D/t8?,11-,12+,13-,14+
InChIKeyOVCJDQPBVXUBBF-FNAKAWFBSA-N
MW323.36 g/mol
LogP0.17
Rot. Bonds11

About [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate

[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate (PubChem CID 24745070) has the molecular formula C14H26O8 and a molecular weight of 323.36 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate
PubChem CID24745070
Molecular FormulaC14H26O8
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC Name[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate
SMILES[2H]C(OC(C)=O)[C@@H](OC)[C@@H](OC)[C@@H](OC)[C@H](COC)OC(C)=O
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+/m1/s1/i8D/t8?,11-,12+,13-,14+
InChIKeyOVCJDQPBVXUBBF-FNAKAWFBSA-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 ≤ 500323.36
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate with MolForge

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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 [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate?
The IUPAC name of [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate (CID 24745070) is [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate.
What is the SMILES notation for [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate?
The canonical SMILES for [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate is [2H]C(OC(C)=O)[C@@H](OC)[C@@H](OC)[C@@H](OC)[C@H](COC)OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate?
The InChIKey is OVCJDQPBVXUBBF-FNAKAWFBSA-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+/m1/s1/i8D/t8?,11-,12+,13-,14+.
What are the key properties of [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate?
[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate has a molecular weight of 323.36 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 [(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate is sourced from PubChem (CID 24745070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).