ChemSpider 2D Image | (4R)-5-(9-Anthrylmethyl)-1-methoxy-4-phenyl-3,4,5,6-tetrahydro-1H-2,5,1-benzoxazaborocine | C31H28BNO2

(4R)-5-(9-Anthrylmethyl)-1-methoxy-4-phenyl-3,4,5,6-tetrahydro-1H-2,5,1-benzoxazaborocine

  • Molecular FormulaC31H28BNO2
  • Average mass457.371 Da
  • Monoisotopic mass457.221313 Da
  • ChemSpider ID30658692

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-5-(9-Anthrylmethyl)-1-methoxy-4-phenyl-3,4,5,6-tetrahydro-1H-2,5,1-benzoxazaborocin [German] [ACD/IUPAC Name]
(4R)-5-(9-Anthrylmethyl)-1-methoxy-4-phenyl-3,4,5,6-tetrahydro-1H-2,5,1-benzoxazaborocine [ACD/IUPAC Name]
(4R)-5-(9-Anthrylméthyl)-1-méthoxy-4-phényl-3,4,5,6-tétrahydro-1H-2,5,1-benzoxazaborocine [French] [ACD/IUPAC Name]
1H-2,5,1-Benzoxazaborocine, 5-(9-anthracenylmethyl)-3,4,5,6-tetrahydro-1-methoxy-4-phenyl-, (4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
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: 22 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 378.9±5.0 cm3

Click to predict properties on the Chemicalize site


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