CID 49767509

2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-o-[(ethoxycarbonyl)(2-phenylethoxy)phosphinyl]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C21H26N5O8P
SMILES
CCOC(=O)P(=O)(OCCC1=CC=CC=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]
InChI
InChI=1S/C21H26N5O8P/c1-3-31-21(29)35(30,32-10-9-15-7-5-4-6-8-15)33-13-17-16(24-25-22)11-18(34-17)26-12-14(2)19(27)23-20(26)28/h4-8,12,16-18H,3,9-11,13H2,1-2H3,(H,23,27,28)/t16-,17+,18+,35?/m0/s1
InChIKey
GOUPBLGHGILULV-IYKQBRMZSA-N
Compound name
ethyl [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2-phenylethoxy)phosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.1519 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.15918 212.6
[M+Na]+ 530.14112 214.7
[M-H]- 506.14462 220.7
[M+NH4]+ 525.18572 215.5
[M+K]+ 546.11506 209.3
[M+H-H2O]+ 490.14916 203.4
[M+HCOO]- 552.15010 239.2
[M+CH3COO]- 566.16575 239.5
[M+Na-2H]- 528.12657 216.6
[M]+ 507.15135 215.4
[M]- 507.15245 215.4
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.