CID 3061172

3',4'-dideoxy-3'-eno-ribostamycin

Structural Information

Molecular Formula
C17H32N4O8
SMILES
C1C=C(OC(C1N)OC2C(CC(C(C2OC3C(C(C(O3)CO)O)O)O)N)N)CN
InChI
InChI=1S/C17H32N4O8/c18-4-6-1-2-7(19)16(26-6)28-14-9(21)3-8(20)11(23)15(14)29-17-13(25)12(24)10(5-22)27-17/h1,7-17,22-25H,2-5,18-21H2
InChIKey
HJWXBBYTSANIQZ-UHFFFAOYSA-N
Compound name
2-[3,5-diamino-2-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

420.22202 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22930 199.5
[M+Na]+ 443.21124 200.6
[M+NH4]+ 438.25584 200.8
[M+K]+ 459.18518 204.1
[M-H]- 419.21474 203.2
[M+Na-2H]- 441.19669 194.4
[M]+ 420.22147 199.5
[M]- 420.22257 199.5
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

patents stripe