CID 53477867

3-beta-galactopyranosyl glucose

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8+,9+,10-,11-,12+/m1/s1
InChIKey
YGEHCIVVZVBCLE-AUCXZHPRSA-N
Compound name
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1162 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 172.8
[M+Na]+ 365.10542 174.0
[M+NH4]+ 360.15002 172.0
[M+K]+ 381.07936 178.9
[M-H]- 341.10892 165.9
[M+Na-2H]- 363.09087 165.6
[M]+ 342.11565 169.8
[M]- 342.11675 169.8
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.