CID 172853

Sorbitan dipalmitate

Structural Information

Molecular Formula
C38H72O7
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]1[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H72O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(41)44-34(31-39)38-37(33(40)32-43-38)45-36(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40H,3-32H2,1-2H3/t33-,34+,37+,38+/m0/s1
InChIKey
DNTMJTROKXRBDM-UUWWDYFTSA-N
Compound name
[(2R,3R,4S)-2-[(1R)-1-hexadecanoyloxy-2-hydroxyethyl]-4-hydroxyoxolan-3-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1262
Patents

640.52783 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.53511 264.1
[M+Na]+ 663.51705 264.1
[M+NH4]+ 658.56165 263.5
[M+K]+ 679.49099 263.9
[M-H]- 639.52055 251.0
[M+Na-2H]- 661.50250 262.7
[M]+ 640.52728 260.6
[M]- 640.52838 260.6
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