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
5
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 267.5
[M+Na]+ 691.35818 265.8
[M-H]- 667.36168 267.7
[M+NH4]+ 686.40278 245.7
[M+K]+ 707.33212 267.7
[M+H-H2O]+ 651.36622 259.7
[M+HCOO]- 713.36716 257.3
[M+CH3COO]- 727.38281 274.7
[M+Na-2H]- 689.34363 255.8
[M]+ 668.36841 277.2
[M]- 668.36951 277.2
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