Basic information
- CAS
18686-38-9- Standard SMILES
O=C(OC1(C(=O)C(F)(F)F)C(O)C(O)C(O)C(OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)C1(OC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F- InChIKey
GJVBHVSAKGDNHE-UHFFFAOYSA-N- Molecular formula
- C18H6F18O12
- Average molar mass
- 756.2 g/mol
- Monoisotopic mass
- 755.9571825
Overview
structure given in first source
Names & identifiers
- Preferred name
- Hexakis(trifluoroacetyl)inositol
- IUPAC
- [4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate
- English name
- hexakis(trifluoroacetyl)inositol
- Molecular weight
- 0
Names & synonyms
Hexakis-tfa-inositolHexakis(trifluoroacetyl)inositol18686-38-9Hexakis(trifluoroacetyl)myo-inositolRefChem:146063[4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetateDTXSID509401494,5,6-trihydroxy-1,2,3-tris(trifluoroacetyl)cyclohexane-1,2,3-triyl tris(trifluoroacetate)Acetic acid, 2,2,2-trifluoro-, 4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-1,2,3-cyclohexanetriyl ester
Database identifiers
- CAS
18686-38-9- PubChem CID
- 152245
- DTXSID
DTXSID50940149
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,280
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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