CCOP(=O)(OCC)C1=NC(=O)NC1=O
名称: 5-diethoxyphosphorylimidazole-2,4-dione
SMILES: CCOP(=O)(OCC)C1=NC(=O)NC1=O

Molecular Processing

Molecular formula
C7H11N2O5P
Molecular weight
234.15
Exact mass
234.0406
XLogP
0.9
TPSA
94.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
51.83

Supplementary Information

InChIKey: CPMFHYYHPYTMEL-UHFFFAOYSA-N
同義語
C7H11N2O5PSCHEMBL9164431CPMFHYYHPYTMEL-UHFFFAOYSA-N5-diethoxyphosphorylimidazole-2,4-dionediethyl 2,5-dioxo-4-imidazolylphosphonateCS-0330034Diethyl (2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)phosphonate
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