CID 54683690

L-ascorbic acid dl-alpha-tocopherol phosphoric diester sodium salt

Structural Information

Molecular Formula
C35H57O10P
SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OP(=O)(O)OC3=C([C@H](OC3=O)[C@H](CO)O)O)C
InChI
InChI=1S/C35H57O10P/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)30(24(5)25(6)31(27)43-35)44-46(40,41)45-33-29(38)32(28(37)20-36)42-34(33)39/h21-23,28,32,36-38H,9-20H2,1-8H3,(H,40,41)/t22-,23-,28+,32-,35-/m1/s1
InChIKey
IOZWJJBOYMUHEJ-HMQIKIGCSA-N
Compound name
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

2380
Patents

668.36896 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.37624 259.1
[M+Na]+ 691.35818 261.5
[M+NH4]+ 686.40278 255.7
[M+K]+ 707.33212 261.7
[M-H]- 667.36168 257.7
[M+Na-2H]- 689.34363 253.0
[M]+ 668.36841 258.5
[M]- 668.36951 258.5
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