6-o-Capryloylsucrose
Basic information
- CAS
136152-82-4- Standard SMILES
CCCCCCCC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O- InChIKey
AWSYOWHJNGZJGU-OASARBKBSA-N- Molecular formula
- C20H36O12
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.22067658
Names & identifiers
- Preferred name
- 6-o-Capryloylsucrose
- IUPAC
- [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate
Names & synonyms
6-o-CapryloylsucroseSucrose 6-o-octanoate6-o-Capryloylsucrose, (+)-NA2JF794IZ136152-82-4alpha-D-Glucopyranoside, 6-O-(1-oxooctyl)-beta-D-fructofuranosylRefChem:105133((2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxolan-2-yl)methyl octanoateUNII-NA2JF794IZDB03190PD059961NS00071288
Show more names
Q27284754.ALPHA.-D-GLUCOPYRANOSIDE, 6-O-(1-OXOOCTYL)-.BETA.-D-FRUCTOFURANOSYL
Database identifiers
- CAS
136152-82-4- PubChem CID
- 447970
- UNII
- NA2JF794IZ
- Nikkaji
- J1.620.994E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 577
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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