CID 154724555

170428-84-9

Structural Information

Molecular Formula
C10H17N2O14P3
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O
InChI
InChI=1S/C10H17N2O14P3/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H,11,13,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1
InChIKey
UJLGWNDCUWVLAK-ZOQUXTDFSA-N
Compound name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.98926 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.996536 186.0
[M+Na]+ 504.978478 190.4
[M-H]- 480.981984 183.2
[M+NH4]+ 500.023083 186.0
[M+K]+ 520.952418 184.7
[M+H-H2O]+ 464.986520 172.7
[M+HCOO]- 526.987461 189.2
[M+CH3COO]- 541.003111 220.3
[M+Na-2H]- 502.963926 187.9
[M]+ 481.98871142 173.6
[M]- 481.98980858 173.6
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.