CID 162640013

2''-o-decanoyl-adp-d-ribose

Structural Information

Molecular Formula
C25H41N5O15P2
SMILES
CCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](OC1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
InChI
InChI=1S/C25H41N5O15P2/c1-2-3-4-5-6-7-8-9-16(31)44-21-19(33)15(43-25(21)35)11-41-47(38,39)45-46(36,37)40-10-14-18(32)20(34)24(42-14)30-13-29-17-22(26)27-12-28-23(17)30/h12-15,18-21,24-25,32-35H,2-11H2,1H3,(H,36,37)(H,38,39)(H2,26,27,28)/t14-,15-,18-,19-,20-,21-,24-,25?/m1/s1
InChIKey
OWVFTUODSKMWAZ-GMCRMSNUSA-N
Compound name
[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

713.20746 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.21474 245.2
[M+Na]+ 736.19668 250.3
[M+NH4]+ 731.24128 246.7
[M+K]+ 752.17062 248.6
[M-H]- 712.20018 240.8
[M+Na-2H]- 734.18213 243.5
[M]+ 713.20691 245.0
[M]- 713.20801 245.0
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.