Sucrose octastearate
Basic information
- CAS
34816-22-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
LYAKYODQZBHMCI-YSVXLPCPSA-N- Molecular formula
- C156H294O19
- Average molar mass
- 2,474 g/mol
- Monoisotopic mass
- 2,472.20393714
Names & identifiers
- Preferred name
- Sucrose octastearate
- IUPAC
- [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
Names & synonyms
sucrose octastearate34816-22-3CR8AD002QQUNII-CR8AD002QQNSC-192748EINECS 252-225-01,3,4,6-Tetrakis-O-(1-oxooctadecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrastearateSCHEMBL30277900SCHEMBL30277904DTXSID001111193NSC 192748Q27275686
Show more names
I+/--D-Glucopyranoside, 1,3,4,6-tetrakis-O-(1-oxooctadecyl)-I(2)-D-fructofuranosyl, 2,3,4,6-tetraoctadecanoate
Database identifiers
- CAS
34816-22-3- PubChem CID
- 99183
- DTXSID
DTXSID001111193- UNII
- CR8AD002QQ
- EC Number
- 252-225-0
- Nikkaji
- J289.842J
Properties
Computed structural properties
- XLogP
- 66.3
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 149
- Heavy atoms
- 175
- Formal charge
- 0
- Complexity
- 3,480
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Compound notes
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