CID 479212

Thymidine, 3'-azido-3'-deoxy-5'-bis(4-(methoxy)phenyl)phosphate

Structural Information

Molecular Formula
C24H26N5O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC3=CC=C(C=C3)OC)OC4=CC=C(C=C4)OC)N=[N+]=[N-]
InChI
InChI=1S/C24H26N5O9P/c1-15-13-29(24(31)26-23(15)30)22-12-20(27-28-25)21(36-22)14-35-39(32,37-18-8-4-16(33-2)5-9-18)38-19-10-6-17(34-3)7-11-19/h4-11,13,20-22H,12,14H2,1-3H3,(H,26,30,31)/t20-,21+,22+/m0/s1
InChIKey
WMWKSOWEKKSAJD-BHDDXSALSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

559.1468 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.15408 223.4
[M+Na]+ 582.13602 225.7
[M-H]- 558.13952 234.9
[M+NH4]+ 577.18062 223.7
[M+K]+ 598.10996 220.9
[M+H-H2O]+ 542.14406 212.4
[M+HCOO]- 604.14500 250.4
[M+CH3COO]- 618.16065 250.3
[M+Na-2H]- 580.12147 228.1
[M]+ 559.14625 227.4
[M]- 559.14735 227.4
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.