[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate

C10H13FO7S — CID 175035699

IUPAC[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@H](OC(C)=O)SC(OC(C)=O)[C@H]1F
InChIInChI=1S/C10H13FO7S/c1-4(12)16-8-6(11)7(18-10(14)15-3)9(19-8)17-5(2)13/h6-9H,1-3H3/t6-,7-,8?,9+/m0/s1
InChIKeyFCZRQAGATNEAIV-HAYPURPSSA-N
MW296.27 g/mol
LogP1.00
Rot. Bonds3

About [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate

[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate (PubChem CID 175035699) has the molecular formula C10H13FO7S and a molecular weight of 296.27 g/mol. Its IUPAC name is [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate
PubChem CID175035699
Molecular FormulaC10H13FO7S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@H](OC(C)=O)SC(OC(C)=O)[C@H]1F
InChIInChI=1S/C10H13FO7S/c1-4(12)16-8-6(11)7(18-10(14)15-3)9(19-8)17-5(2)13/h6-9H,1-3H3/t6-,7-,8?,9+/m0/s1
InChIKeyFCZRQAGATNEAIV-HAYPURPSSA-N
XLogP1.00
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate?
The IUPAC name of [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate (CID 175035699) is [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate.
What is the SMILES notation for [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate?
The canonical SMILES for [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate is COC(=O)O[C@@H]1[C@H](OC(C)=O)SC(OC(C)=O)[C@H]1F.
What is the InChIKey of [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate?
The InChIKey is FCZRQAGATNEAIV-HAYPURPSSA-N. The full InChI is InChI=1S/C10H13FO7S/c1-4(12)16-8-6(11)7(18-10(14)15-3)9(19-8)17-5(2)13/h6-9H,1-3H3/t6-,7-,8?,9+/m0/s1.
What are the key properties of [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate?
[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate has a molecular weight of 296.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate is sourced from PubChem (CID 175035699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).