CID 5270902

(2s,3r,4r,5r)-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]tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C17H34N4O10
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](CO3)O)O)O)O)N
InChI
InChI=1S/C17H34N4O10/c18-2-7-11(25)12(26)8(21)16(29-7)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)10(24)6(22)3-28-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKey
DHNKIVRUKXYCHQ-VVPCINPTSA-N
Compound name
(2S,3R,4R,5R)-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]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.2275 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23478 208.3
[M+Na]+ 477.21672 208.4
[M-H]- 453.22022 199.5
[M+NH4]+ 472.26132 207.9
[M+K]+ 493.19066 213.1
[M+H-H2O]+ 437.22476 198.4
[M+HCOO]- 499.22570 210.3
[M+CH3COO]- 513.24135 241.4
[M+Na-2H]- 475.20217 238.8
[M]+ 454.22695 213.8
[M]- 454.22805 213.8
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.