CID 5484289

Sucrose dilaurate

Structural Information

Molecular Formula
C36H66O13
SMILES
CCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@]1([C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)OC(=O)CCCCCCCCCCC)CO)O)O
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
InChIKey
BMHNFXNMWLKAIM-VDZNHIKYSA-N
Compound name
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2-dodecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

449
Patents

706.4503 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.457576 265.3
[M+Na]+ 729.439518 266.4
[M-H]- 705.443024 261.6
[M+NH4]+ 724.484123 263.0
[M+K]+ 745.413458 264.3
[M+H-H2O]+ 689.447560 264.9
[M+HCOO]- 751.448501 276.5
[M+CH3COO]- 765.464151 268.9
[M+Na-2H]- 727.424966 266.4
[M]+ 706.44975142 261.4
[M]- 706.45084858 261.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe