CID 122706194

1-(2-n-acetamidomethylphosphonato) 5-phospho-alpha-d-ribose

Structural Information

Molecular Formula
C8H17NO11P2
SMILES
CC(=O)NCP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O
InChI
InChI=1S/C8H17NO11P2/c1-4(10)9-3-21(13,14)20-8-7(12)6(11)5(19-8)2-18-22(15,16)17/h5-8,11-12H,2-3H2,1H3,(H,9,10)(H,13,14)(H2,15,16,17)/t5-,6-,7-,8-/m1/s1
InChIKey
GZTFJVJLUYPPOK-WCTZXXKLSA-N
Compound name
acetamidomethyl-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

365.02768 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03496 171.9
[M+Na]+ 388.01690 174.3
[M-H]- 364.02040 166.7
[M+NH4]+ 383.06150 177.2
[M+K]+ 403.99084 176.9
[M+H-H2O]+ 348.02494 162.6
[M+HCOO]- 410.02588 197.4
[M+CH3COO]- 424.04153 204.5
[M+Na-2H]- 386.00235 172.6
[M]+ 365.02713 174.4
[M]- 365.02823 174.4
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.