CID 5288380

Glytoucan:g95802qw

Structural Information

Molecular Formula
C17H28O15
SMILES
CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O)O
InChI
InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25)/t4-,5-,6+,7+,8-,9-,10-,11+,12-,13+,15-,16+,17+/m1/s1
InChIKey
XZGRJCXNJVJWKJ-BZPIULKISA-N
Compound name
(2S,3S,4R,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.14282 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.150096 212.1
[M+Na]+ 495.132038 210.8
[M-H]- 471.135544 204.3
[M+NH4]+ 490.176643 210.8
[M+K]+ 511.105978 210.7
[M+H-H2O]+ 455.140080 204.6
[M+HCOO]- 517.141021 213.3
[M+CH3COO]- 531.156671 228.1
[M+Na-2H]- 493.117486 234.7
[M]+ 472.14227142 209.0
[M]- 472.14336858 209.0
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.