CID 97545873

151843-03-7

Structural Information

Molecular Formula
C18H34O12
SMILES
C(CCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)CCO
InChI
InChI=1S/C18H34O12/c19-5-3-1-2-4-6-27-17-15(25)14(24)12(22)10(30-17)8-28-18-16(26)13(23)11(21)9(7-20)29-18/h9-26H,1-8H2/t9-,10-,11+,12+,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey
HGBGLTOHEHFQKS-RZWXNVOYSA-N
Compound name
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(6-hydroxyhexoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.20502 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21230 201.2
[M+Na]+ 465.19424 203.8
[M+NH4]+ 460.23884 200.4
[M+K]+ 481.16818 205.8
[M-H]- 441.19774 198.7
[M+Na-2H]- 463.17969 193.7
[M]+ 442.20447 199.8
[M]- 442.20557 199.8
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.