CID 90659091

Cdp-glycerol

Structural Information

Molecular Formula
C12H21N3O13P2
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H](CO)O)O)O
InChI
InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7-,9-,10-,11-/m1/s1
InChIKey
HHPOUCCVONEPRK-JBSYKWBFSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

99
Patents

477.05496 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.06224 196.1
[M+Na]+ 500.04418 199.3
[M+NH4]+ 495.08878 196.5
[M+K]+ 516.01812 198.4
[M-H]- 476.04768 189.4
[M+Na-2H]- 498.02963 201.0
[M]+ 477.05441 194.2
[M]- 477.05551 194.2
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.