CID 91859643

Alpha-d-man-(1->3)-[alpha-d-man-(1->6)]-beta-d-man-(1->4)-beta-d-glcnac

Structural Information

Molecular Formula
C26H45NO21
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C26H45NO21/c1-6(31)27-11-15(35)21(9(4-30)43-23(11)41)47-26-20(40)22(48-25-19(39)17(37)13(33)8(3-29)45-25)14(34)10(46-26)5-42-24-18(38)16(36)12(32)7(2-28)44-24/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21-,22+,23-,24+,25-,26+/m1/s1
InChIKey
VEJMLLWTNKQWKM-WFUOSSMFSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

707.2484 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.25568 247.9
[M+Na]+ 730.23762 245.4
[M-H]- 706.24112 241.1
[M+NH4]+ 725.28222 246.8
[M+K]+ 746.21156 248.3
[M+H-H2O]+ 690.24566 245.2
[M+HCOO]- 752.24660 248.4
[M+CH3COO]- 766.26225 252.2
[M+Na-2H]- 728.22307 276.2
[M]+ 707.24785 244.7
[M]- 707.24895 244.7
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.