[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate

C13H20O8 — CID 170851439

IUPAC[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@H]1[C@H]([C@@H](COC(C)=O)OC(C)=O)OC[C@@H]1OC(C)=O
InChIInChI=1S/C13H20O8/c1-7(14)18-5-11(21-9(3)16)13-12(17-4)10(6-19-13)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12+,13-/m0/s1
InChIKeyFKDNQUUYBJZAIS-LOWDOPEQSA-N
MW304.30 g/mol
LogP-0.17
Rot. Bonds6

About [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate (PubChem CID 170851439) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate
PubChem CID170851439
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@H]1[C@H]([C@@H](COC(C)=O)OC(C)=O)OC[C@@H]1OC(C)=O
InChIInChI=1S/C13H20O8/c1-7(14)18-5-11(21-9(3)16)13-12(17-4)10(6-19-13)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12+,13-/m0/s1
InChIKeyFKDNQUUYBJZAIS-LOWDOPEQSA-N
XLogP-0.17
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate with MolForge

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Related Compounds

[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 101177501
[(3S,4R,5S)-4-acetyloxy-5-[(1S)-1-acetyloxy-2-chloroethyl]oxolan-3-yl] acetate
CID 10892228
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]ethyl] acetate
CID 23235835
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
[(2S,3R,4S)-2-[(1R)-1-acetyloxyethyl]-4-methoxyoxolan-3-yl] acetate
CID 6428079
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5Z)-3,4-diacetyloxy-5-(bromomethylidene)oxolan-2-yl]ethyl] acetate
CID 101202873
[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate
CID 101191189

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate (CID 170851439) is [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate is CO[C@H]1[C@H]([C@@H](COC(C)=O)OC(C)=O)OC[C@@H]1OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate?
The InChIKey is FKDNQUUYBJZAIS-LOWDOPEQSA-N. The full InChI is InChI=1S/C13H20O8/c1-7(14)18-5-11(21-9(3)16)13-12(17-4)10(6-19-13)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12+,13-/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate has a molecular weight of 304.30 g/mol, XLogP of -0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 170851439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).