CID 3042726

Dl-gabob-prm

Structural Information

Molecular Formula
C27H52N6O16
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CNC(=O)CC(CN)O)O)O)N)O)O)N
InChI
InChI=1S/C27H52N6O16/c28-3-7(36)1-13(37)33-4-10-17(39)19(41)14(31)25(44-10)48-23-12(6-35)46-27(21(23)43)49-24-16(38)8(29)2-9(30)22(24)47-26-15(32)20(42)18(40)11(5-34)45-26/h7-12,14-27,34-36,38-43H,1-6,28-32H2,(H,33,37)
InChIKey
PFNSDQPIMMZHOI-UHFFFAOYSA-N
Compound name
4-amino-N-[[5-amino-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-3-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

716.344 Da
Monoisotopic Mass

-10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.35128 257.7
[M+Na]+ 739.33322 254.8
[M-H]- 715.33672 252.4
[M+NH4]+ 734.37782 257.5
[M+K]+ 755.30716 267.0
[M+H-H2O]+ 699.34126 249.6
[M+HCOO]- 761.34220 258.4
[M+CH3COO]- 775.35785 261.7
[M+Na-2H]- 737.31867 291.5
[M]+ 716.34345 263.1
[M]- 716.34455 263.1
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.