CID 170454654

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

Structural Information

Molecular Formula
C18H37N5O9
SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H](C(C[C@H](O2)CO)(N)O)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N
InChI
InChI=1S/C18H37N5O9/c19-4-11-10(25)2-9(22)16(30-11)31-13-7(20)1-8(21)14(12(13)26)32-17-15(27)18(23,28)3-6(5-24)29-17/h6-17,24-28H,1-5,19-23H2/t6-,7-,8+,9+,10-,11+,12-,13+,14-,15-,16+,17+,18?/m0/s1
InChIKey
GQVVIXALIUPMFE-QSAJNCSJSA-N
Compound name
(2R,3R,6S)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.25912 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.266396 208.4
[M+Na]+ 490.248338 208.7
[M-H]- 466.251844 199.9
[M+NH4]+ 485.292943 208.3
[M+K]+ 506.222278 213.5
[M+H-H2O]+ 450.256380 198.0
[M+HCOO]- 512.257321 210.5
[M+CH3COO]- 526.272971 215.1
[M+Na-2H]- 488.233786 241.0
[M]+ 467.25857142 216.1
[M]- 467.25966858 216.1
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.