CID 452554

5'-dipr-po4t

Structural Information

Molecular Formula
C16H27N2O8P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C16H27N2O8P/c1-4-6-23-27(22,24-7-5-2)25-10-13-12(19)8-14(26-13)18-9-11(3)15(20)17-16(18)21/h9,12-14,19H,4-8,10H2,1-3H3,(H,17,20,21)/t12-,13+,14+/m0/s1
InChIKey
VMXXWGLQYFCPKN-BFHYXJOUSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.1505 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15778 191.0
[M+Na]+ 429.13972 196.7
[M-H]- 405.14322 192.0
[M+NH4]+ 424.18432 198.6
[M+K]+ 445.11366 196.2
[M+H-H2O]+ 389.14776 180.7
[M+HCOO]- 451.14870 211.1
[M+CH3COO]- 465.16435 218.0
[M+Na-2H]- 427.12517 188.7
[M]+ 406.14995 198.0
[M]- 406.15105 198.0
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