CID 3008204

3dt-diphosphate dimyristoylglycerol

Structural Information

Molecular Formula
C41H74N2O14P2
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C41H74N2O14P2/c1-4-6-8-10-12-14-16-18-20-22-24-26-38(44)52-31-36(56-39(45)27-25-23-21-19-17-15-13-11-9-7-5-2)33-54-59(50,51)57-58(48,49)53-32-35-28-29-37(55-35)43-30-34(3)40(46)42-41(43)47/h30,35-37H,4-29,31-33H2,1-3H3,(H,48,49)(H,50,51)(H,42,46,47)/t35-,36+,37+/m0/s1
InChIKey
CQEBOZMFNBBHER-HKIDPNTFSA-N
Compound name
[(2R)-3-[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

880.46155 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.46883 292.6
[M+Na]+ 903.45077 298.2
[M-H]- 879.45427 293.1
[M+NH4]+ 898.49537 305.0
[M+K]+ 919.42471 293.3
[M+H-H2O]+ 863.45881 279.6
[M+HCOO]- 925.45975 307.3
[M+CH3COO]- 939.47540 302.2
[M+Na-2H]- 901.43622 269.0
[M]+ 880.46100 297.8
[M]- 880.46210 297.8
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.