[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate

C16H26O10 — CID 146681599

IUPAC[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate
SMILES[2H]COC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC[2H]
InChIInChI=1S/C16H26O10/c1-9(17)23-8-13(22-6)15(25-11(3)19)16(26-12(4)20)14(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/t13-,14-,15-,16-/m1/s1/i5D,6D
InChIKeyUZCWYWPMTQZNMH-ZCMHLTTKSA-N
MW380.39 g/mol
LogP0.01
Rot. Bonds13

About [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate

[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate (PubChem CID 146681599) has the molecular formula C16H26O10 and a molecular weight of 380.39 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate
PubChem CID146681599
Molecular FormulaC16H26O10
Molecular Weight380.39 g/mol
Exact Mass380.17
IUPAC Name[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate
SMILES[2H]COC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC[2H]
InChIInChI=1S/C16H26O10/c1-9(17)23-8-13(22-6)15(25-11(3)19)16(26-12(4)20)14(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/t13-,14-,15-,16-/m1/s1/i5D,6D
InChIKeyUZCWYWPMTQZNMH-ZCMHLTTKSA-N
XLogP0.01
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] 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

[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
[(2S,3R,4S,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-tris(deuteriomethoxy)hexyl] acetate
CID 168873363
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
CID 175639864
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
(2,3,6-triacetyloxy-6-deuterio-4,5-dimethoxyhexyl) acetate
CID 175460303
[(2R,3R,4S,5R)-2,3,4,5,6,6-hexaacetyloxyhexyl] acetate
CID 2728799
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438
[(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-6-ethoxyhexyl] acetate
CID 22212780
[(2S,3R,4S)-2,5-diacetyloxy-5-deuterio-3,4-dimethoxypentyl] acetate
CID 15608108

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate?
The IUPAC name of [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate (CID 146681599) is [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate?
The canonical SMILES for [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate is [2H]COC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC[2H].
What is the InChIKey of [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate?
The InChIKey is UZCWYWPMTQZNMH-ZCMHLTTKSA-N. The full InChI is InChI=1S/C16H26O10/c1-9(17)23-8-13(22-6)15(25-11(3)19)16(26-12(4)20)14(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/t13-,14-,15-,16-/m1/s1/i5D,6D.
What are the key properties of [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate?
[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate has a molecular weight of 380.39 g/mol, XLogP of 0.01, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4,5-triacetyloxy-2,6-bis(deuteriomethoxy)hexyl] acetate is sourced from PubChem (CID 146681599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).