CID 25203470

Chebi:137466

Structural Information

Molecular Formula
C22H38O19
SMILES
C1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C22H38O19/c23-5-1-35-20(15(31)9(5)25)37-3-7-11(27)12(28)17(33)22(40-7)41-18-8(39-19(34)14(30)13(18)29)4-38-21-16(32)10(26)6(24)2-36-21/h5-34H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1
InChIKey
HHXODKCLMMLNCM-ABVJEWOGSA-N
Compound name
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.20074 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.20802 230.4
[M+Na]+ 629.18996 228.5
[M-H]- 605.19346 221.8
[M+NH4]+ 624.23456 228.9
[M+K]+ 645.16390 231.0
[M+H-H2O]+ 589.19800 227.1
[M+HCOO]- 651.19894 231.0
[M+CH3COO]- 665.21459 235.3
[M+Na-2H]- 627.17541 255.3
[M]+ 606.20019 225.1
[M]- 606.20129 225.1
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.