CID 6483652

1-[(2r,4s,5s)-4-azido-5-[[[hydroxy-(4-methoxyphenyl)methyl]-phenoxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H26N5O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(C3=CC=C(C=C3)OC)O)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C24H26N5O8P/c1-15-13-29(24(32)26-22(15)30)21-12-19(27-28-25)20(36-21)14-35-38(33,37-18-6-4-3-5-7-18)23(31)16-8-10-17(34-2)11-9-16/h3-11,13,19-21,23,31H,12,14H2,1-2H3,(H,26,30,32)/t19-,20+,21+,23?,38?/m0/s1
InChIKey
OPMPEUYBJSJJHR-CUWAGLHYSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy-(4-methoxyphenyl)methyl]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

543.1519 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.15918 219.9
[M+Na]+ 566.14112 221.1
[M-H]- 542.14462 229.9
[M+NH4]+ 561.18572 220.0
[M+K]+ 582.11506 215.3
[M+H-H2O]+ 526.14916 209.5
[M+HCOO]- 588.15010 244.6
[M+CH3COO]- 602.16575 245.3
[M+Na-2H]- 564.12657 223.5
[M]+ 543.15135 220.1
[M]- 543.15245 220.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.