CID 448803

6-aminohexyl-uridine-c1,5'-diphosphate

Structural Information

Molecular Formula
C15H27N3O12P2
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCCCCCN)O)O
InChI
InChI=1S/C15H27N3O12P2/c16-6-3-1-2-4-8-27-31(23,24)30-32(25,26)28-9-10-12(20)13(21)14(29-10)18-7-5-11(19)17-15(18)22/h5,7,10,12-14,20-21H,1-4,6,8-9,16H2,(H,23,24)(H,25,26)(H,17,19,22)/t10-,12-,13-,14-/m1/s1
InChIKey
MLWJBKPFDKRHBM-FMKGYKFTSA-N
Compound name
[6-aminohexoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.107 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.11428 204.1
[M+Na]+ 526.09622 204.8
[M-H]- 502.09972 199.4
[M+NH4]+ 521.14082 191.4
[M+K]+ 542.07016 206.6
[M+H-H2O]+ 486.10426 191.5
[M+HCOO]- 548.10520 216.8
[M+CH3COO]- 562.12085 231.5
[M+Na-2H]- 524.08167 209.0
[M]+ 503.10645 207.5
[M]- 503.10755 207.5
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.