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 223.6
[M+Na]+ 507.36562 225.5
[M-H]- 483.36912 231.3
[M+NH4]+ 502.41022 234.9
[M+K]+ 523.33956 226.7
[M+H-H2O]+ 467.37366 222.3
[M+HCOO]- 529.37460 233.9
[M+CH3COO]- 543.39025 239.7
[M+Na-2H]- 505.35107 220.0
[M]+ 484.37585 234.9
[M]- 484.37695 234.9
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.