ChemSpider 2D Image | (+)-berkeleyamide D | C18H21NO5

(+)-berkeleyamide D

  • Molecular FormulaC18H21NO5
  • Average mass331.363 Da
  • Monoisotopic mass331.141968 Da
  • ChemSpider ID32034001
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(+)-berkeleyamide D
(5R,8S,9S)-2-Benzyl-8,9-dihydroxy-8-isobutyl-1-oxa-7-azaspiro[4.4]non-2-en-4,6-dion [German] [ACD/IUPAC Name]
(5R,8S,9S)-2-Benzyl-8,9-dihydroxy-8-isobutyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione [ACD/IUPAC Name]
(5R,8S,9S)-2-Benzyl-8,9-dihydroxy-8-isobutyl-1-oxa-7-azaspiro[4.4]non-2-ène-4,6-dione [French] [ACD/IUPAC Name]
1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8,9-dihydroxy-8-(2-methylpropyl)-2-(phenylmethyl)-, (5R,8S,9S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 96 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 246.9±5.0 cm3

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