ChemSpider 2D Image | (3R)-3-Amino-4-[(3R,4S)-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanamide | C21H31N7O6

(3R)-3-Amino-4-[(3R,4S)-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanamide

  • Molecular FormulaC21H31N7O6
  • Average mass477.514 Da
  • Monoisotopic mass477.233582 Da
  • ChemSpider ID68725595

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-3-Amino-4-[(3R,4S)-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanamid [German] [ACD/IUPAC Name]
(3R)-3-Amino-4-[(3R,4S)-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanamide [ACD/IUPAC Name]
(3R)-3-Amino-4-[(3R,4S)-4-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-3-hydroxy-3-méthyl-1-oxa-9-azaspiro[5.5]undéc-9-yl]-4-oxobutanamide [French] [ACD/IUPAC Name]
1-Oxa-9-azaspiro[5.5]undecane-9-butanamide, β-amino-3-hydroxy-3-methyl-γ-oxo-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)-, (βR,3R,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 842.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 463.0±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.60
Polar Surface Area: 177 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 298.7±7.0 cm3

Click to predict properties on the Chemicalize site


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