CID 5360776

Sucrose laurate

Structural Information

Molecular Formula
C24H44O12
SMILES
CCCCCCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
InChI
InChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)36-24(22(33)20(31)18(29)15(12-25)35-24)23(14-27)21(32)19(30)16(13-26)34-23/h15-16,18-22,25-27,29-33H,2-14H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23+,24+/m1/s1
InChIKey
GCSPRLPXTPMSTL-IBDNADADSA-N
Compound name
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

71
References

8525
Patents

524.28326 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.29054 219.0
[M+Na]+ 547.27248 218.9
[M+NH4]+ 542.31708 219.5
[M+K]+ 563.24642 219.1
[M-H]- 523.27598 214.9
[M+Na-2H]- 545.25793 213.2
[M]+ 524.28271 217.0
[M]- 524.28381 217.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe