CID 6483651

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

Structural Information

Molecular Formula
C24H26N5O7P
SMILES
CC1=CC=C(C=C1)C(O)P(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-])OC4=CC=CC=C4
InChI
InChI=1S/C24H26N5O7P/c1-15-8-10-17(11-9-15)23(31)37(33,36-18-6-4-3-5-7-18)34-14-20-19(27-28-25)12-21(35-20)29-13-16(2)22(30)26-24(29)32/h3-11,13,19-21,23,31H,12,14H2,1-2H3,(H,26,30,32)/t19-,20+,21+,23?,37?/m0/s1
InChIKey
DUMJOYMLGPGKDW-XCLFQTKJSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy-(4-methylphenyl)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

527.157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.16428 218.7
[M+Na]+ 550.14622 220.4
[M-H]- 526.14972 228.7
[M+NH4]+ 545.19082 219.6
[M+K]+ 566.12016 213.6
[M+H-H2O]+ 510.15426 208.5
[M+HCOO]- 572.15520 243.3
[M+CH3COO]- 586.17085 243.0
[M+Na-2H]- 548.13167 221.6
[M]+ 527.15645 217.7
[M]- 527.15755 217.7
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.