CID 452571

5'-mevalpo3(et) azt

Structural Information

Molecular Formula
C18H29N6O8P
SMILES
CCOP(=O)(N[C@@H](C(C)C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C18H29N6O8P/c1-6-30-33(28,22-15(10(2)3)17(26)29-5)31-9-13-12(21-23-19)7-14(32-13)24-8-11(4)16(25)20-18(24)27/h8,10,12-15H,6-7,9H2,1-5H3,(H,22,28)(H,20,25,27)/t12-,13+,14+,15-,33?/m0/s1
InChIKey
GGZPMMRIYIRBDM-RXJKDQPTSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.17844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18572 206.5
[M+Na]+ 511.16766 207.8
[M-H]- 487.17116 211.7
[M+NH4]+ 506.21226 232.4
[M+K]+ 527.14160 204.5
[M+H-H2O]+ 471.17570 199.1
[M+HCOO]- 533.17664 244.5
[M+CH3COO]- 547.19229 241.0
[M+Na-2H]- 509.15311 209.2
[M]+ 488.17789 209.3
[M]- 488.17899 209.3
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.