CID 49767512

2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-o-[(ethoxycarbonyl)(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)phosphinyl]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C23H32N5O8P
SMILES
CCOC(=O)P(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H32N5O8P/c1-3-33-22(31)37(32,36-23-8-14-4-15(9-23)6-16(5-14)10-23)34-12-18-17(26-27-24)7-19(35-18)28-11-13(2)20(29)25-21(28)30/h11,14-19H,3-10,12H2,1-2H3,(H,25,29,30)/t14?,15?,16?,17-,18+,19+,23?,37?/m0/s1
InChIKey
GSNJYGUBHIRXCC-HTHGAMBASA-N
Compound name
ethyl [1-adamantyloxy-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.19885 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.20613 203.3
[M+Na]+ 560.18807 199.5
[M-H]- 536.19157 201.4
[M+NH4]+ 555.23267 211.7
[M+K]+ 576.16201 196.4
[M+H-H2O]+ 520.19611 195.8
[M+HCOO]- 582.19705 212.3
[M+CH3COO]- 596.21270 251.7
[M+Na-2H]- 558.17352 213.8
[M]+ 537.19830 205.8
[M]- 537.19940 205.8
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.