ChemSpider 2D Image | Sativanine B | C30H38N4O4

Sativanine B

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID4444916

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R,4S,7S,10Z)-4-(4-Butyl-3-methyl-5-oxo-1-imidazolidinyl)-7-isopropyl-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-5,8-dion [German] [ACD/IUPAC Name]
(3R,4S,7S,10Z)-4-(4-Butyl-3-methyl-5-oxo-1-imidazolidinyl)-7-isopropyl-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-5,8-dione [ACD/IUPAC Name]
(3R,4S,7S,10Z)-4-(4-Butyl-3-méthyl-5-oxo-1-imidazolidinyl)-7-isopropyl-3-phényl-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraène-5,8-dione [French] [ACD/IUPAC Name]
2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraene-5,8-dione, 4-(4-butyl-3-methyl-5-oxo-1-imidazolidinyl)-7-(1-methylethyl)-3-phenyl-, (3R,4S,7S,10Z)- [ACD/Index Name]
Sativanine B
2-OXA-6,9-DIAZABICYCLO[10.2.2]HEXADECA-10,12,- 14,15-TETRAENE-5,8-DIONE,4-(4-BUTYL-3- METHYL-5-OXO-1-IMIDAZOLIDINYL)-7-(1-METHYLETHYL)- 3-PHENYL-
72361-60-5 [RN]

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

C10013 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 773.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.4±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 210.46
ACD/KOC (pH 5.5): 1584.61
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.37
ACD/KOC (pH 7.4): 1644.13
Polar Surface Area: 91 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

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