SUCROSE DILAURATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5926LC4S7M
EPA CompTox DTXSID20180590

Structure

InChI Key BMHNFXNMWLKAIM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(OC(=O)CCCCCCCCCCC)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O
InChI
InChI=1S/C36H66O13/c1-3-5-7-9-11-13-15-17-19-21-28(40)46-34-32(44)30(42)26(23-37)48-36(34,35(25-39)33(45)31(43)27(24-38)47-35)49-29(41)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-34,37-39,42-45H,3-25H2,1-2H3/t26-,27-,30-,31-,32+,33+,34-,35+,36+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H66O13
Molecular Weight 706.45
AlogP 2.94
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 26.0
Polar Surface Area 212.67
Heavy Atoms 49.0

Cross References

Resources Reference
CAS NUMBER 25915-57-5
NORMAN SUSDAT
FDA SRS 5926LC4S7M
ChemSpider 4588438.0
CONTENTS