CID 53477863

Globoisotriaose

Structural Information

Molecular Formula
C19H34O15
SMILES
C1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)CO
InChI
InChI=1S/C19H34O15/c20-2-6-1-9(13(28)15(30)11(6)26)32-18-14(29)10(5-23)33-19(16(18)31)34-17(8(25)4-22)12(27)7(24)3-21/h3,6-20,22-31H,1-2,4-5H2/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey
DRRWNKCTTZUPPM-FBSSLUAZSA-N
Compound name
(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

502.18976 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.19704 206.3
[M+Na]+ 525.17898 205.8
[M-H]- 501.18248 201.1
[M+NH4]+ 520.22358 205.7
[M+K]+ 541.15292 203.5
[M+H-H2O]+ 485.18702 193.8
[M+HCOO]- 547.18796 208.2
[M+CH3COO]- 561.20361 229.5
[M+Na-2H]- 523.16443 229.7
[M]+ 502.18921 207.8
[M]- 502.19031 207.8
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

patents stripe