CID 477415

5-hydroxy-2'-deoxycytidine 5'-triphosphate

Structural Information

Molecular Formula
C9H16N3O14P3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H16N3O14P3/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,4,6-7,13-14H,1,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1
InChIKey
APWMGTRTGVBXNC-UBKIQSJTSA-N
Compound name
[[(2R,3S,5R)-5-(4-amino-5-hydroxy-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

91
Patents

482.98453 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.99181 188.4
[M+Na]+ 505.97375 192.5
[M-H]- 481.97725 185.3
[M+NH4]+ 501.01835 188.4
[M+K]+ 521.94769 188.0
[M+H-H2O]+ 465.98179 175.1
[M+HCOO]- 527.98273 191.4
[M+CH3COO]- 541.99838 225.5
[M+Na-2H]- 503.95920 192.0
[M]+ 482.98398 177.5
[M]- 482.98508 177.5
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.