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]+ 482.99654 186.0
[M+Na]+ 504.97848 190.4
[M-H]- 480.98198 183.2
[M+NH4]+ 500.02308 186.0
[M+K]+ 520.95242 184.7
[M+H-H2O]+ 464.98652 172.7
[M+HCOO]- 526.98746 189.2
[M+CH3COO]- 541.00311 220.3
[M+Na-2H]- 502.96393 187.9
[M]+ 481.98871 173.6
[M]- 481.98981 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.