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]+ 443.212296 200.5
[M+Na]+ 465.194238 200.7
[M-H]- 441.197744 196.7
[M+NH4]+ 460.238843 201.7
[M+K]+ 481.168178 201.4
[M+H-H2O]+ 425.202280 192.8
[M+HCOO]- 487.203221 202.6
[M+CH3COO]- 501.218871 218.9
[M+Na-2H]- 463.179686 195.6
[M]+ 442.20447142 200.5
[M]- 442.20556858 200.5
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.