CID 53477882

3-o-a-l-fucopyranosyl-d-glucose

Structural Information

Molecular Formula
C12H22O10
SMILES
CC1C(C([C@@H]([C@@H](O1)OC([C@H](C=O)O)[C@@H](C(CO)O)O)O)O)O
InChI
InChI=1S/C12H22O10/c1-4-7(17)9(19)10(20)12(21-4)22-11(6(16)3-14)8(18)5(15)2-13/h3-13,15-20H,2H2,1H3/t4?,5?,6-,7?,8+,9?,10-,11?,12-/m0/s1
InChIKey
WFLGVJKIXANXQV-CJVZSHCUSA-N
Compound name
(2R,4R)-2,4,5,6-tetrahydroxy-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1213 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12858 169.5
[M+Na]+ 349.11052 171.1
[M-H]- 325.11402 163.5
[M+NH4]+ 344.15512 176.8
[M+K]+ 365.08446 172.3
[M+H-H2O]+ 309.11856 163.8
[M+HCOO]- 371.11950 175.2
[M+CH3COO]- 385.13515 197.0
[M+Na-2H]- 347.09597 164.2
[M]+ 326.12075 166.9
[M]- 326.12185 166.9
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.