CID 485308

1-(2',3',5',6'-tetradeoxy-6'-dibenzyloxyphosphonyl-beta-d-erthro-hexofuranosyl)uracil

Structural Information

Molecular Formula
C24H27N2O6P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=CC(=O)NC4=O
InChI
InChI=1S/C24H27N2O6P/c27-22-13-15-26(24(28)25-22)23-12-11-21(32-23)14-16-33(29,30-17-19-7-3-1-4-8-19)31-18-20-9-5-2-6-10-20/h1-10,13,15,21,23H,11-12,14,16-18H2,(H,25,27,28)/t21-,23+/m0/s1
InChIKey
BEMGHAIEZPOTPG-JTHBVZDNSA-N
Compound name
1-[(2R,5S)-5-[2-bis(phenylmethoxy)phosphorylethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.16068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16796 209.7
[M+Na]+ 493.14990 213.1
[M-H]- 469.15340 217.2
[M+NH4]+ 488.19450 213.5
[M+K]+ 509.12384 209.8
[M+H-H2O]+ 453.15794 195.5
[M+HCOO]- 515.15888 230.3
[M+CH3COO]- 529.17453 228.9
[M+Na-2H]- 491.13535 207.7
[M]+ 470.16013 211.2
[M]- 470.16123 211.2
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.