CID 170454670

(2s,3r,4s,5s,6r)-4-amino-2-[(1s,2r,4s,5r,6s)-2,4-diamino-5-[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

Structural Information

Molecular Formula
C18H37N5O10
SMILES
C1[C@H]([C@H](O[C@@H]([C@H]1O)CN)O[C@H]2[C@@H]([C@H]([C@@H](C([C@@H]2N)O)N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N
InChI
InChI=1S/C18H37N5O10/c19-2-6-5(25)1-4(20)17(30-6)32-15-9(22)12(27)10(23)16(14(15)29)33-18-13(28)8(21)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9+,10-,11-,12?,13-,14+,15-,16+,17-,18-/m1/s1
InChIKey
GUGXBKIXOGUQIE-LFWGCPEKSA-N
Compound name
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2R,4S,5R,6S)-2,4-diamino-5-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.25403 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.261306 212.4
[M+Na]+ 506.243248 212.2
[M-H]- 482.246754 203.7
[M+NH4]+ 501.287853 212.1
[M+K]+ 522.217188 218.3
[M+H-H2O]+ 466.251290 202.8
[M+HCOO]- 528.252231 214.3
[M+CH3COO]- 542.267881 218.8
[M+Na-2H]- 504.228696 245.2
[M]+ 483.25348142 219.5
[M]- 483.25457858 219.5
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.