CID 3068968

4''-alpha-d-glucopyranosylkanamycin b

Structural Information

Molecular Formula
C24H47N5O15
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)N)O)O)OC4C(C(C(C(O4)CN)O)O)N)N
InChI
InChI=1S/C24H47N5O15/c25-2-7-12(32)14(34)11(29)22(39-7)42-19-5(26)1-6(27)20(18(19)38)43-23-15(35)10(28)21(9(4-31)41-23)44-24-17(37)16(36)13(33)8(3-30)40-24/h5-24,30-38H,1-4,25-29H2
InChIKey
STAYKUHDGMBJKQ-UHFFFAOYSA-N
Compound name
2-[4-amino-6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

645.3069 Da
Monoisotopic Mass

-9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.31418 238.7
[M+Na]+ 668.29612 238.4
[M+NH4]+ 663.34072 239.3
[M+K]+ 684.27006 241.2
[M-H]- 644.29962 231.9
[M+Na-2H]- 666.28157 258.0
[M]+ 645.30635 237.5
[M]- 645.30745 237.5
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.