CID 5279008

Mdzwdsagtvrglz-xlpzgreqsa-n

Structural Information

Molecular Formula
C10H17N6O11P3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)OP(=O)(NP(=O)(O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H17N6O11P3/c1-5-3-16(10(18)12-9(5)17)8-2-6(13-14-11)7(26-8)4-28(19,20)27-30(24,25)15-29(21,22)23/h3,6-8H,2,4H2,1H3,(H,19,20)(H,12,17,18)(H4,15,21,22,23,24,25)/t6-,7+,8+/m0/s1
InChIKey
MDZWDSAGTVRGLZ-XLPZGREQSA-N
Compound name
[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

490.0168 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.02408 192.3
[M+Na]+ 513.00602 197.2
[M-H]- 489.00952 191.5
[M+NH4]+ 508.05062 213.7
[M+K]+ 528.97996 194.6
[M+H-H2O]+ 473.01406 180.3
[M+HCOO]- 535.01500 197.4
[M+CH3COO]- 549.03065 228.2
[M+Na-2H]- 510.99147 209.8
[M]+ 490.01625 201.7
[M]- 490.01735 201.7
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.