CID 135566713

Gdp-4-amino-4,6-dideoxy-alpha-d-mannose(1-)

Structural Information

Molecular Formula
C16H26N6O14P2
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)N
InChI
InChI=1S/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1
InChIKey
PMFIPWCEUCAMAY-YVXBHLEUSA-N
Compound name
[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

588.0982 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.10548 219.3
[M+Na]+ 611.08742 221.9
[M-H]- 587.09092 212.5
[M+NH4]+ 606.13202 218.6
[M+K]+ 627.06136 222.6
[M+H-H2O]+ 571.09546 207.0
[M+HCOO]- 633.09640 220.7
[M+CH3COO]- 647.11205 225.0
[M+Na-2H]- 609.07287 219.7
[M]+ 588.09765 214.4
[M]- 588.09875 214.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe