CID 469402

Aztdp-dsg

Structural Information

Molecular Formula
C49H89N5O14P2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H89N5O14P2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(55)63-38-42(66-47(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-64-69(59,60)68-70(61,62)65-40-44-43(52-53-50)36-45(67-44)54-37-41(3)48(57)51-49(54)58/h37,42-45H,4-36,38-40H2,1-3H3,(H,59,60)(H,61,62)(H,51,57,58)/t42?,43-,44+,45+/m0/s1
InChIKey
CIXCYXIKWXHJHC-JGAWIVKWSA-N
Compound name
[3-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1033.5881 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1034.5954 333.5
[M+Na]+ 1056.5773 340.7
[M-H]- 1032.5808 338.8
[M+NH4]+ 1051.6219 348.2
[M+K]+ 1072.5513 339.0
[M+H-H2O]+ 1016.5854 311.5
[M+HCOO]- 1078.5863 344.7
[M+CH3COO]- 1092.6020 330.1
[M+Na-2H]- 1054.5628 307.4
[M]+ 1033.5876 332.0
[M]- 1033.5886 332.0
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.