CID 473805

Chembl1791452

Structural Information

Molecular Formula
C17H27N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC(C)C)C(=O)OC)O)N=[N+]=[N-]
InChI
InChI=1S/C17H27N6O8P/c1-9(2)5-12(16(25)29-4)21-32(27,28)30-8-13-11(20-22-18)6-14(31-13)23-7-10(3)15(24)19-17(23)26/h7,9,11-14H,5-6,8H2,1-4H3,(H,19,24,26)(H2,21,27,28)/t11-,12-,13+,14+/m0/s1
InChIKey
IYGDCEZOPFZNDU-IGQOVBAYSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

474.1628 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17008 202.0
[M+Na]+ 497.15202 203.3
[M-H]- 473.15552 206.0
[M+NH4]+ 492.19662 225.3
[M+K]+ 513.12596 199.5
[M+H-H2O]+ 457.16006 195.0
[M+HCOO]- 519.16100 238.3
[M+CH3COO]- 533.17665 235.9
[M+Na-2H]- 495.13747 204.7
[M]+ 474.16225 202.6
[M]- 474.16335 202.6
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.