SACCHAROSE MONOPALMITATE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII 3OSQ643ZK5
EPA CompTox DTXSID90904361

Structure

InChI Key XYFGTTCGHCGTDZ-ZRVLSRDKSA-N
Smiles CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(31)37-17-20-22(32)24(34)25(35)27(38-20)40-28(18-30)26(36)23(33)19(16-29)39-28/h19-20,22-27,29-30,32-36H,2-18H2,1H3/t19-,20-,22-,23-,24+,25-,26+,27-,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H52O12
Molecular Weight 580.35
AlogP 0.64
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 20.0
Polar Surface Area 195.6
Heavy Atoms 40.0

Cross References

Resources Reference
CAS NUMBER 26446-38-8
NORMAN SUSDAT
FDA SRS 3OSQ643ZK5
PubChem 11238581
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