[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate

C13H20O8 — CID 101177501

IUPAC[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C13H20O8/c1-7(14)18-6-11(20-9(3)16)13-10(19-8(2)15)5-12(17-4)21-13/h10-13H,5-6H2,1-4H3/t10-,11-,12-,13+/m1/s1
InChIKeyUMNNUAUVUHIZGG-LPWJVIDDSA-N
MW304.30 g/mol
LogP0.17
Rot. Bonds6

About [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate (PubChem CID 101177501) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
PubChem CID101177501
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C13H20O8/c1-7(14)18-6-11(20-9(3)16)13-10(19-8(2)15)5-12(17-4)21-13/h10-13H,5-6H2,1-4H3/t10-,11-,12-,13+/m1/s1
InChIKeyUMNNUAUVUHIZGG-LPWJVIDDSA-N
XLogP0.17
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 ≤ 50.17
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,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate with MolForge

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Related Compounds

[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate
CID 170851439
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]ethyl] acetate
CID 23235835
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate
CID 46894560
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[2-acetyloxy-2-[(2R,3R,5S)-3-acetyloxy-5-(benzylsulfonylmethyl)oxolan-2-yl]ethyl] acetate
CID 101378203
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(2S,3S,4R,6S)-4-acetyloxy-3-ethenyl-6-methoxyoxan-2-yl]methyl acetate
CID 146660242
[3-(3-acetamido-4,6-diacetyloxyoxan-2-yl)-2,3-diacetyloxypropyl] acetate
CID 54358673

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate (CID 101177501) is [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate is CO[C@H]1C[C@@H](OC(C)=O)[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate?
The InChIKey is UMNNUAUVUHIZGG-LPWJVIDDSA-N. The full InChI is InChI=1S/C13H20O8/c1-7(14)18-6-11(20-9(3)16)13-10(19-8(2)15)5-12(17-4)21-13/h10-13H,5-6H2,1-4H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-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,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 101177501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).