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 209.3
[M+Na]+ 493.22555 208.3
[M-H]- 469.22905 205.1
[M+NH4]+ 488.27015 209.2
[M+K]+ 509.19949 209.4
[M+H-H2O]+ 453.23359 201.5
[M+HCOO]- 515.23453 209.7
[M+CH3COO]- 529.25018 225.8
[M+Na-2H]- 491.21100 202.2
[M]+ 470.23578 209.3
[M]- 470.23688 209.3
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.