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beta-D-fructofuranosyl alpha-D-glucopyranoside, mono[3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate]

HCID 44149652
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Basic information

CAS
94166-86-6
Standard SMILES
CCCCCCC(O)C/C=C/C(CCCCCCC(=O)O)C(CCO)(CC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
UYCORZHZFZCRHD-AALVTZLDSA-N
Molecular formula
C36H62O18
Average molar mass
782.9 g/mol
Monoisotopic mass
782.39361512

Names & identifiers

Preferred name
beta-D-fructofuranosyl alpha-D-glucopyranoside, mono[3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate]
IUPAC
(E)-8-[3-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxycarbonyl-5-hydroxy-1-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-3-yl]-12-hydroxyoctadec-9-enoic acid
English name
beta-D-fructofuranosyl alpha-D-glucopyranoside, mono[3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate]
Molecular formula
C36H62O18
Molecular weight
782.86668

Names & synonyms

EINECS 303-384-094166-86-6beta-D-Fructofuranosyl alpha-D-glucopyranoside, mono(3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate)DTXSID00240929BETA-D-FRUCTOFURANOSYL ALPHA-D-GLUCOPYRANOSIDE, MONO[3-(4-HYDROXYDEC-1-ENYL) 2-(2-HYDROXYETHYL) 9-HYDROGEN NONANE-1,2,9-TRICARBOXYLATE]RefChem:119269DTXCID80163420303-384-0NS00040219(9E)-8-[3-({[(2R,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}carbonyl)-5-hydroxy-1-oxo-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-3-yl]-12-hydroxyoctadec-9-enoic acid(E)-8-[3-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxycarbonyl-5-hydroxy-1-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-3-yl]-12-hydroxyoctadec-9-enoic acid

Database identifiers

CAS
94166-86-6
PubChem CID
44149652
DTXSID
DTXSID00240929
EC Number
303-384-0

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
311 Ų
Hydrogen bond donors
11
Hydrogen bond acceptors
18
Rotatable bonds
28
Heavy atoms
54
Formal charge
0
Complexity
1,150

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