CID 131751313

(r)-1-o-[b-d-glucopyranosyl-(1->6)-b-d-glucopyranoside]-1,3-octanediol

Structural Information

Molecular Formula
C20H38O12
SMILES
CCCCCC(CCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3
InChIKey
ODOJEOFQPWTDSS-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(3-hydroxyoctoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.23633 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.24361 209.1
[M+Na]+ 493.22555 211.0
[M+NH4]+ 488.27015 207.9
[M+K]+ 509.19949 213.4
[M-H]- 469.22905 206.4
[M+Na-2H]- 491.21100 200.9
[M]+ 470.23578 207.5
[M]- 470.23688 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.