CID 131822815

Cdp-dg(i-12:0/i-14:0)

Structural Information

Molecular Formula
C38H69N3O15P2
SMILES
CC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C38H69N3O15P2/c1-28(2)19-15-11-7-5-6-8-14-18-22-34(43)54-30(25-51-33(42)21-17-13-10-9-12-16-20-29(3)4)26-52-57(47,48)56-58(49,50)53-27-31-35(44)36(45)37(55-31)41-24-23-32(39)40-38(41)46/h23-24,28-31,35-37,44-45H,5-22,25-27H2,1-4H3,(H,47,48)(H,49,50)(H2,39,40,46)/t30-,31-,35+,36?,37-/m1/s1
InChIKey
ZUYSMDUKUJKUBM-RBBNTGEOSA-N
Compound name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

869.4204 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 870.42768 281.8
[M+Na]+ 892.40962 285.9
[M+NH4]+ 887.45422 284.8
[M+K]+ 908.38356 281.0
[M-H]- 868.41312 277.6
[M+Na-2H]- 890.39507 289.5
[M]+ 869.41985 282.1
[M]- 869.42095 282.1
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.