CID 46174032

5''-phosphoribostamycin(2+)

Structural Information

Molecular Formula
C17H35N4O13P
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](O3)COP(=O)(O)O)O)O)O)N
InChI
InChI=1S/C17H35N4O13P/c18-2-6-10(23)12(25)8(21)16(31-6)33-14-5(20)1-4(19)9(22)15(14)34-17-13(26)11(24)7(32-17)3-30-35(27,28)29/h4-17,22-26H,1-3,18-21H2,(H2,27,28,29)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKey
YSYVVCNYHFEBSE-VVPCINPTSA-N
Compound name
[(2R,3S,4R,5S)-5-[(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]oxy-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.19385 Da
Monoisotopic Mass

-10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.20113 217.8
[M+Na]+ 557.18307 218.1
[M-H]- 533.18657 212.5
[M+NH4]+ 552.22767 217.9
[M+K]+ 573.15701 225.8
[M+H-H2O]+ 517.19111 207.9
[M+HCOO]- 579.19205 220.0
[M+CH3COO]- 593.20770 224.4
[M+Na-2H]- 555.16852 242.2
[M]+ 534.19330 217.2
[M]- 534.19440 217.2
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.