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Sucrose Fatty Acid Esters

CAT: 1489-S7050-01Size: 100 gDry Ice: NoHazardous: No
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CAS Number
37318-31-3

Chemical Information

Sucrose Stearate

See also: Sugar Mix 1015 (FDA NDC: 63083-1015) (component of).

CAS Number37318-31-3
PubChem CID66895039
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;octadecanoic acid
Molecular FormulaC30H58O13
Molecular Weight626.8
Topological Polar Surface Area227
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count21
Heavy Atom Count43
Formal Charge0
Complexity597
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1
InChIKey
ONAIRGOTKJCYEY-XXDXYRHBSA-N
Chemical Structure
2D Structure
2D structure of Sucrose Stearate
CAS: 37318-31-3
CID: 66895039
Formula: C30H58O13
MW: 626.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count21
Exact Mass626.38774190
Monoisotopic Mass626.38774190
Topological Polar Surface Area227 Ų
Heavy Atom Count43
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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