ChemSpider 2D Image | 4-[(3S,4S)-3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid | C18H24ClN3O7

4-[(3S,4S)-3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid

  • Molecular FormulaC18H24ClN3O7
  • Average mass429.852 Da
  • Monoisotopic mass429.130280 Da
  • ChemSpider ID68415375

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Oxa-9-azaspiro[5.5]undecane-9-butanoic acid, 3-(5-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-γ-oxo-, (3S,4S)- [ACD/Index Name]
4-[(3S,4S)-3-(5-Chlor-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[(3S,4S)-3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-[(3S,4S)-3-(5-chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-méthyl-1-oxa-9-azaspiro[5.5]undéc-9-yl]-4-oxobutanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


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