CID 443781

2-deoxyribose 5-triphosphate(4-)

Structural Information

Molecular Formula
C5H13O13P3
SMILES
C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C5H13O13P3/c6-3-1-5(7)16-4(3)2-15-20(11,12)18-21(13,14)17-19(8,9)10/h3-7H,1-2H2,(H,11,12)(H,13,14)(H2,8,9,10)/t3-,4+,5+/m0/s1
InChIKey
VGYGUKCLUFVVQO-VPENINKCSA-N
Compound name
[[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

373.9569 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.96418 174.7
[M+Na]+ 396.94612 175.8
[M-H]- 372.94962 178.9
[M+NH4]+ 391.99072 175.0
[M+K]+ 412.92006 161.9
[M+H-H2O]+ 356.95416 158.4
[M+HCOO]- 418.95510 198.9
[M+CH3COO]- 432.97075 199.6
[M+Na-2H]- 394.93157 157.9
[M]+ 373.95635 171.6
[M]- 373.95745 171.6
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