CID 478059

(2r,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[2-[5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxyethoxy]-3-hydroxy-cyclohexoxy]tetrahydropyran-3,4-diol

Structural Information

Molecular Formula
C19H39N5O10
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)OCCOC3C(C(C(O3)CN)O)O)O)N
InChI
InChI=1S/C19H39N5O10/c20-4-8-12(26)14(28)10(24)18(32-8)34-16-7(23)3-6(22)11(25)17(16)30-1-2-31-19-15(29)13(27)9(5-21)33-19/h6-19,25-29H,1-5,20-24H2/t6-,7+,8-,9?,10-,11+,12-,13?,14-,15?,16-,17-,18-,19?/m1/s1
InChIKey
QFDPVHXWXIVCND-ITOISNHESA-N
Compound name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[2-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

497.26968 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.27696 221.0
[M+Na]+ 520.25890 221.2
[M-H]- 496.26240 213.6
[M+NH4]+ 515.30350 221.1
[M+K]+ 536.23284 230.4
[M+H-H2O]+ 480.26694 210.7
[M+HCOO]- 542.26788 223.0
[M+CH3COO]- 556.28353 227.2
[M+Na-2H]- 518.24435 249.4
[M]+ 497.26913 227.3
[M]- 497.27023 227.3
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.