CID 5480484

Bis(3-pentyloc)pmpa

Structural Information

Molecular Formula
C23H38N5O10P
SMILES
CCC(CC)OC(=O)OCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(CC)CC
InChI
InChI=1S/C23H38N5O10P/c1-6-17(7-2)37-22(29)32-13-35-39(31,36-14-33-23(30)38-18(8-3)9-4)15-34-16(5)10-28-12-27-19-20(24)25-11-26-21(19)28/h11-12,16-18H,6-10,13-15H2,1-5H3,(H2,24,25,26)/t16-/m1/s1
InChIKey
OUUFNLSBTLHOSH-MRXNPFEDSA-N
Compound name
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(pentan-3-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl pentan-3-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

575.23566 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.24294 228.4
[M+Na]+ 598.22488 228.5
[M-H]- 574.22838 225.8
[M+NH4]+ 593.26948 237.3
[M+K]+ 614.19882 231.8
[M+H-H2O]+ 558.23292 215.9
[M+HCOO]- 620.23386 235.2
[M+CH3COO]- 634.24951 254.2
[M+Na-2H]- 596.21033 224.9
[M]+ 575.23511 243.2
[M]- 575.23621 243.2
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.