Sucrose octapalmitate

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Basic information

CAS: 39024-75-4
Standard SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
InChIKey: WJPZXFWMBSJTPE-PISRTDAGSA-N
Molecular formula: C140H262O19
Average molar mass: 2,249.6 g/mol
Monoisotopic mass: 2,247.95353612

Names & identifiers

Preferred name: Sucrose octapalmitate
IUPAC: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate

Names & synonyms

sucrose octapalmitate39024-75-4JE1NY6BUOINSC974311,3,4,6-Tetrakis-O-(1-oxohexadecyl)- beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrapalmitateUNII-JE1NY6BUOINSC-97431EINECS 254-251-8NSC 974311,3,4,6-Tetrakis-O-(1-oxohexadecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrapalmitateSCHEMBL597451DTXSID501110990

Show more names

((2S,3S,4R,5R)-4-Hexadecanoyloxy-2,5-bis(hexadecanoyloxymethyl)-2-((2R,3R,4S,5R,6R)-3,4,5-tri(hexadecanoyloxy)-6-(hexadecanoyloxymethyl)oxan-2-yl)oxyoxolan-3-yl) hexadecanoateQ27281464[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)tetrahydropyran-2-yl]methyl hexadecanoateI+/--D-Glucopyranoside, 1,3,4,6-tetrakis-O-(1-oxohexadecyl)-I(2)-D-fructofuranosyl, 2,3,4,6-tetrahexadecanoate

Database identifiers

CAS: 39024-75-4
PubChem CID: 73543
DTXSID: DTXSID501110990
UNII: JE1NY6BUOI
EC Number: 254-251-8
Nikkaji: J319.888J

Properties

Computed structural properties

XLogP: 57.7
Topological polar surface area: 238 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 19
Rotatable bonds: 133
Heavy atoms: 159
Formal charge: 0
Complexity: 3,180

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Compound notes

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