[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate

C16H24O13 — CID 71267653

IUPAC[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate
SMILESCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(=O)OC)[C@H](OC(=O)OC)[C@H]1OC(=O)OC
InChIInChI=1S/C16H24O13/c1-6-24-13-12(29-16(20)23-5)11(28-15(19)22-4)10(27-14(18)21-3)9(26-13)7-25-8(2)17/h9-13H,6-7H2,1-5H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyUQOKQXMYDJYTNC-UJPOAAIJSA-N
MW424.36 g/mol
LogP0.77
Rot. Bonds7

About [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate (PubChem CID 71267653) has the molecular formula C16H24O13 and a molecular weight of 424.36 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate
PubChem CID71267653
Molecular FormulaC16H24O13
Molecular Weight424.36 g/mol
Exact Mass424.12
IUPAC Name[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate
SMILESCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(=O)OC)[C@H](OC(=O)OC)[C@H]1OC(=O)OC
InChIInChI=1S/C16H24O13/c1-6-24-13-12(29-16(20)23-5)11(28-15(19)22-4)10(27-14(18)21-3)9(26-13)7-25-8(2)17/h9-13H,6-7H2,1-5H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyUQOKQXMYDJYTNC-UJPOAAIJSA-N
XLogP0.77
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-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

Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 10416815
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 24745387
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 162998935
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate (CID 71267653) is [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate is CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(=O)OC)[C@H](OC(=O)OC)[C@H]1OC(=O)OC.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate?
The InChIKey is UQOKQXMYDJYTNC-UJPOAAIJSA-N. The full InChI is InChI=1S/C16H24O13/c1-6-24-13-12(29-16(20)23-5)11(28-15(19)22-4)10(27-14(18)21-3)9(26-13)7-25-8(2)17/h9-13H,6-7H2,1-5H3/t9-,10-,11+,12-,13-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate has a molecular weight of 424.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-tris(methoxycarbonyloxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 71267653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).