CID 5270876

(2s,3r,4r,5s,6r)-2-[(1r,2r,3s,5r,6s)-3,5-diamino-2-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C18H36N4O11
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)O)N
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)8(22)17(30-6)32-15-5(21)1-4(20)9(24)16(15)33-18-14(29)13(28)11(26)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKey
VASUJHVYZVRVMP-YQAIQQJCSA-N
Compound name
(2S,3R,4R,5S,6R)-2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.23807 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24535 211.5
[M+Na]+ 507.22729 211.5
[M-H]- 483.23079 202.8
[M+NH4]+ 502.27189 211.1
[M+K]+ 523.20123 216.3
[M+H-H2O]+ 467.23533 202.2
[M+HCOO]- 529.23627 213.4
[M+CH3COO]- 543.25192 217.9
[M+Na-2H]- 505.21274 242.5
[M]+ 484.23752 216.3
[M]- 484.23862 216.3
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.