CID 482115

Guanidino-paromomycin

Structural Information

Molecular Formula
C25H52N15O14
SMILES
C1[C@H]([C@H]([C@H]([C@@H]([C@H]1[N+](=N)N)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)C[N+](=N)N)O)O)N=C(N)N)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)[N+](=N)N)N=C(N)N
InChI
InChI=1S/C25H52N15O14/c26-24(27)36-5-1-6(39(32)33)12(43)20(18(5)52-22-11(40(34)35)16(47)14(45)8(3-41)50-22)54-23-17(48)19(9(4-42)51-23)53-21-10(37-25(28)29)15(46)13(44)7(49-21)2-38(30)31/h5-23,41-48H,1-4H2,(H3,30,31)(H3,32,33)(H3,34,35)(H4,26,27,36)(H4,28,29,37)/q+3/t5-,6+,7-,8+,9-,10+,11+,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22+,23+/m1/s1
InChIKey
RHZGYQAVFSEWPD-UWTLVGCISA-N
Compound name
amino-[[(2R,3R,4S,5S,6R)-6-[(2R,3S,4R,5S)-5-[(1S,2R,3R,5S,6R)-5-[amino(imino)azaniumyl]-2-[(2R,3S,4S,5R,6S)-3-[amino(imino)azaniumyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(diaminomethylideneamino)-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-(diaminomethylideneamino)-3,4-dihydroxyoxan-2-yl]methyl]-iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.38184 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.38912 258.7
[M+Na]+ 809.37106 256.1
[M-H]- 785.37456 255.2
[M+NH4]+ 804.41566 261.3
[M+K]+ 825.34500 272.8
[M+H-H2O]+ 769.37910 251.9
[M+HCOO]- 831.38004 261.5
[M+CH3COO]- 845.39569 263.9
[M+Na-2H]- 807.35651 310.6
[M]+ 786.38129 298.1
[M]- 786.38239 298.1
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.