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

C14H20O8S — CID 101191189

IUPAC[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1SC[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H20O8S/c1-7(15)19-5-11(20-8(2)16)14-13(22-10(4)18)12(6-23-14)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyKTWNUZJYQMRQPZ-AAVRWANBSA-N
MW348.37 g/mol
LogP0.46
Rot. Bonds6

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

[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate (PubChem CID 101191189) has the molecular formula C14H20O8S and a molecular weight of 348.37 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate
PubChem CID101191189
Molecular FormulaC14H20O8S
Molecular Weight348.37 g/mol
Exact Mass348.09
IUPAC Name[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1SC[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H20O8S/c1-7(15)19-5-11(20-8(2)16)14-13(22-10(4)18)12(6-23-14)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyKTWNUZJYQMRQPZ-AAVRWANBSA-N
XLogP0.46
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]ethyl] acetate
CID 23235835
[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 101177501
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(3S,4S,5R,6S)-4,5-diacetyloxy-6-hydroxythian-3-yl] acetate
CID 23240188
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[(3S,4S,5S,6S)-4,5,6-triacetyloxythiepan-3-yl] acetate
CID 101100292
[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
CID 538653
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5Z)-3,4-diacetyloxy-5-(bromomethylidene)oxolan-2-yl]ethyl] acetate
CID 101202873
[(2S)-2-[(2R,3R,3aR,6aR)-3-acetyloxy-4-hydroxy-5,5-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl]-2-acetyloxyethyl] acetate
CID 102012703

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate (CID 101191189) is [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@H]1SC[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate?
The InChIKey is KTWNUZJYQMRQPZ-AAVRWANBSA-N. The full InChI is InChI=1S/C14H20O8S/c1-7(15)19-5-11(20-8(2)16)14-13(22-10(4)18)12(6-23-14)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate has a molecular weight of 348.37 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2R,3R,4S)-3,4-diacetyloxythiolan-2-yl]ethyl] acetate is sourced from PubChem (CID 101191189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).