CID 49767280

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[difluoro-[hexadecoxy(hydroxy)phosphoryl]methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boranuide

Structural Information

Molecular Formula
C27H47BF2N5O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C27H47BF2N5O11P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-43-47(38,39)27(29,30)48(40,41)46-49(28,42)44-20-23-22(33-34-31)18-24(45-23)35-19-21(2)25(36)32-26(35)37/h19,22-24H,3-18,20H2,1-2H3,(H,38,39)(H,40,41)(H,32,36,37)/q-1/t22-,23+,24+,49-/m0/s1
InChIKey
FSKVBEQPJWLKBE-TXEDTNSVSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.2546 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.26188 276.3
[M+Na]+ 782.24382 283.7
[M-H]- 758.24732 283.6
[M+NH4]+ 777.28842 286.2
[M+K]+ 798.21776 280.0
[M+H-H2O]+ 742.25186 240.3
[M+HCOO]- 804.25280 300.7
[M+CH3COO]- 818.26845 277.7
[M+Na-2H]- 780.22927 253.9
[M]+ 759.25405 266.7
[M]- 759.25515 266.7
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.