CID 131822845

Cdp-dg(i-14:0/a-15:0)

Structural Information

Molecular Formula
C41H75N3O15P2
SMILES
CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(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/C41H75N3O15P2/c1-5-32(4)23-19-15-11-7-9-13-17-21-25-37(46)57-33(28-54-36(45)24-20-16-12-8-6-10-14-18-22-31(2)3)29-55-60(50,51)59-61(52,53)56-30-34-38(47)39(48)40(58-34)44-27-26-35(42)43-41(44)49/h26-27,31-34,38-40,47-48H,5-25,28-30H2,1-4H3,(H,50,51)(H,52,53)(H2,42,43,49)/t32?,33-,34-,38+,39?,40-/m1/s1
InChIKey
HNZTYZVFIBOZTB-WERIVYNPSA-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-(12-methyltridecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

911.46735 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 912.47463 283.6
[M+Na]+ 934.45657 286.0
[M-H]- 910.46007 283.5
[M+NH4]+ 929.50117 307.0
[M+K]+ 950.43051 275.7
[M+H-H2O]+ 894.46461 266.4
[M+HCOO]- 956.46555 284.7
[M+CH3COO]- 970.48120 311.0
[M+Na-2H]- 932.44202 296.2
[M]+ 911.46680 286.6
[M]- 911.46790 286.6
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.