Basic information
- CAS
18604-34-7- Standard SMILES
CC1(C)OC[C@]2(OC[C@H](O)[C@@H](O)[C@@H]2O)O1- InChIKey
NCPKAWHTYZABFG-XQXXSGGOSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Names & identifiers
- Preferred name
- alpha-l-Sorbopyranose, 1,2-O-(1-methylethylidene)-
- IUPAC
- (5S,6S,7R,8S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decane-6,7,8-triol
- English name
- alpha-l-Sorbopyranose, 1,2-O-(1-methylethylidene)-
- Molecular formula
- C9H16O6
- Molecular weight
- 220.21974
Names & synonyms
18604-34-7alpha-l-Sorbopyranose, 1,2-O-(1-methylethylidene)-EINECS 242-445-5(5S,6S,7R,8S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decane-6,7,8-triolDTXSID10171836NS000260901,2-O-(1-Methylethylidene)-alpha-L-sorbopyranose1-O,2-O-Isopropylidene-L-sorbopyranose
Database identifiers
- CAS
18604-34-7- PubChem CID
- 87724
- DTXSID
DTXSID10171836- EC Number
- 242-445-5
- Nikkaji
- J1.652.192B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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