CID 46906074

Alpha-d-galnac-(1->3)-d-gal

Structural Information

Molecular Formula
C14H25NO11
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)CO)O)O
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-10(21)8(19)5(2-16)25-14(7)26-12-9(20)6(3-17)24-13(23)11(12)22/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10-,11-,12+,13?,14-/m1/s1
InChIKey
IXWNIYCPCRHGAE-DFZOHVKFSA-N
Compound name
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

84
Patents

383.14276 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.150036 185.7
[M+Na]+ 406.131978 187.7
[M-H]- 382.135484 184.0
[M+NH4]+ 401.176583 189.6
[M+K]+ 422.105918 189.0
[M+H-H2O]+ 366.140020 178.6
[M+HCOO]- 428.140961 190.7
[M+CH3COO]- 442.156611 212.4
[M+Na-2H]- 404.117426 181.8
[M]+ 383.14221142 182.4
[M]- 383.14330858 182.4
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.