CID 155926121

Gdp-n-formyl-alpha-d-perosamine

Structural Information

Molecular Formula
C17H26N6O15P2
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)NC=O
InChI
InChI=1S/C17H26N6O15P2/c1-5-7(20-4-24)10(26)12(28)16(35-5)37-40(32,33)38-39(30,31)34-2-6-9(25)11(27)15(36-6)23-3-19-8-13(23)21-17(18)22-14(8)29/h3-7,9-12,15-16,25-28H,2H2,1H3,(H,20,24)(H,30,31)(H,32,33)(H3,18,21,22,29)/t5-,6-,7-,9-,10+,11-,12+,15-,16-/m1/s1
InChIKey
IPOGOXMRDKQDJS-KFYKYABVSA-N
Compound name
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.09314 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.10042 222.8
[M+Na]+ 639.08236 224.9
[M-H]- 615.08586 216.3
[M+NH4]+ 634.12696 221.9
[M+K]+ 655.05630 225.2
[M+H-H2O]+ 599.09040 210.5
[M+HCOO]- 661.09134 223.9
[M+CH3COO]- 675.10699 228.2
[M+Na-2H]- 637.06781 223.0
[M]+ 616.09259 217.0
[M]- 616.09369 217.0
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.