CID 168814

L-ascorbic acid, dihexadecanoate

Structural Information

Molecular Formula
C38H68O8
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)O[C@@H]1[C@H](CO)OC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-32(31-39)36-37(35(42)38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1
InChIKey
TZMXUZAZMXYWGC-LBHUVFDKSA-N
Compound name
[(2R)-2-[(1S)-1-hexadecanoyloxy-2-hydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

652.4914 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.49868 265.2
[M+Na]+ 675.48062 265.0
[M+NH4]+ 670.52522 264.9
[M+K]+ 691.45456 265.1
[M-H]- 651.48412 253.4
[M+Na-2H]- 673.46607 264.1
[M]+ 652.49085 262.0
[M]- 652.49195 262.0
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