CID 472366

Uridine 3'-spiroxirane triphosphate

Structural Information

Molecular Formula
C11H17N2O15P3
SMILES
C1COC12[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C11H17N2O15P3/c14-7-1-3-13(10(16)12-7)9-8(15)11(2-4-24-11)6(26-9)5-25-30(20,21)28-31(22,23)27-29(17,18)19/h1,3,6,8-9,15H,2,4-5H2,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t6-,8+,9-,11?/m1/s1
InChIKey
KHOYFXBIDHIYLV-MNYIIIIRSA-N
Compound name
[[(5R,6R,8R)-6-(2,4-dioxopyrimidin-1-yl)-5-hydroxy-1,7-dioxaspiro[3.4]octan-8-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

509.9842 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.99148 195.3
[M+Na]+ 532.97342 198.6
[M-H]- 508.97692 192.4
[M+NH4]+ 528.01802 195.0
[M+K]+ 548.94736 193.0
[M+H-H2O]+ 492.98146 183.3
[M+HCOO]- 554.98240 197.9
[M+CH3COO]- 568.99805 227.2
[M+Na-2H]- 530.95887 196.9
[M]+ 509.98365 182.0
[M]- 509.98475 182.0
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.