ChemSpider 2D Image | (3R)-3-(7-Amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid | C10H11N5O4

(3R)-3-(7-Amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid

  • Molecular FormulaC10H11N5O4
  • Average mass265.225 Da
  • Monoisotopic mass265.081116 Da
  • ChemSpider ID35033356

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3-(7-Amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid [ACD/IUPAC Name]
(3R)-3-(7-Amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tétrahydropyrimido[4,5-c]pyridazin-3-yl)butanoïque [French] [ACD/IUPAC Name]
Pyrimido[4,5-c]pyridazine-3-propanoic acid, 7-amino-1,4,5,6-tetrahydro-β-methyl-4,5-dioxo-, (βR)- [ACD/Index Name]
0J2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.815
Molar Refractivity: 60.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 89.5±7.0 dyne/cm
Molar Volume: 140.5±7.0 cm3

Click to predict properties on the Chemicalize site


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