CID 54550224

D-ribose 5-triphosphate(4-)

Structural Information

Molecular Formula
C5H13O14P3
SMILES
C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C5H13O14P3/c6-3-2(17-5(8)4(3)7)1-16-21(12,13)19-22(14,15)18-20(9,10)11/h2-8H,1H2,(H,12,13)(H,14,15)(H2,9,10,11)/t2-,3-,4-,5?/m1/s1
InChIKey
ZJJBHGDNOZLBIL-SOOFDHNKSA-N
Compound name
[hydroxy(phosphonooxy)phosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

389.9518 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.95908 179.4
[M+Na]+ 412.94102 178.7
[M-H]- 388.94452 183.9
[M+NH4]+ 407.98562 178.2
[M+K]+ 428.91496 165.3
[M+H-H2O]+ 372.94906 153.5
[M+HCOO]- 434.95000 201.7
[M+CH3COO]- 448.96565 202.0
[M+Na-2H]- 410.92647 161.2
[M]+ 389.95125 175.6
[M]- 389.95235 175.6
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