CID 3051366

Glucofuranose, 1:2,5:6-di-o-isopropylidene-3-o-pentyl-, alpha-d-

Structural Information

Molecular Formula
C17H30O6
SMILES
CCCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C17H30O6/c1-6-7-8-9-18-13-12(11-10-19-16(2,3)21-11)20-15-14(13)22-17(4,5)23-15/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14?,15?/m1/s1
InChIKey
XIFPTYYNPGOLNC-DYALKNRASA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-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

330.20422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.211496 174.3
[M+Na]+ 353.193438 181.0
[M-H]- 329.196944 184.2
[M+NH4]+ 348.238043 191.9
[M+K]+ 369.167378 184.5
[M+H-H2O]+ 313.201480 174.7
[M+HCOO]- 375.202421 188.4
[M+CH3COO]- 389.218071 209.1
[M+Na-2H]- 351.178886 176.4
[M]+ 330.20367142 182.3
[M]- 330.20476858 182.3
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.