CID 53477881

Alpha-d-manp-(1 -> 2)-a-d-manp-(1 -> 2)-a-d-manp-(1 -> 3)-b-d-manp-(1 -> 4)-d-glcnacp

Structural Information

Molecular Formula
C26H45NO21
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2C([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1
InChIKey
POROYQINIQHUGJ-APJJTYCFSA-N
Compound name
N-[(2R,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.2484 Da
Monoisotopic Mass

-8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.25568 248.1
[M+Na]+ 730.23762 244.1
[M-H]- 706.24112 244.4
[M+NH4]+ 725.28222 247.1
[M+K]+ 746.21156 245.7
[M+H-H2O]+ 690.24566 240.5
[M+HCOO]- 752.24660 248.6
[M+CH3COO]- 766.26225 252.4
[M+Na-2H]- 728.22307 276.3
[M]+ 707.24785 248.9
[M]- 707.24895 248.9
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.