CID 3051358

1,2:5,6-bis-o-(1-methylethylidene)-3-o-hexadecyl-alpha-d-glucofuranose

Structural Information

Molecular Formula
C28H52O6
SMILES
CCCCCCCCCCCCCCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C28H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24-23(22-21-30-27(2,3)32-22)31-26-25(24)33-28(4,5)34-26/h22-26H,6-21H2,1-5H3/t22-,23-,24+,25?,26?/m1/s1
InChIKey
DIIKASYRIYNEQV-SXKBUZGKSA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.3764 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.38368 218.4
[M+Na]+ 507.36562 223.3
[M+NH4]+ 502.41022 225.4
[M+K]+ 523.33956 220.5
[M-H]- 483.36912 224.7
[M+Na-2H]- 505.35107 215.6
[M]+ 484.37585 221.0
[M]- 484.37695 221.0
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

No patent data available for this compound.