ChemSpider 2D Image | Aralionine A | C34H38N4O5

Aralionine A

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID4444904

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Aralionine A
N-[(3R,4S,7S,10Z)-7-Benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-isoleucinamid [German] [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-Benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-isoleucinamide [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-Benzoyl-5,8-dioxo-3-phényl-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-N2,N2-diméthyl-L-isoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, N-[(3R,4S,7S,10Z)-7-benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-2-(dimethylamino)-3-methyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-N-[(3R,4S,7S,10Z)-7-BENZOYL-5,8-DIOXO-3-PHENYL-2-OXA-6,9-DIAZABICYCLO[10.2.2]HEXADECA-1(14),10,12,15-TETRAEN-4-YL]-2-(DIMETHYLAMINO)-3-METHYLPENTANAMIDE
21761-48-8 [RN]

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

C09999 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 861.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 474.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 165.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 13.63
ACD/KOC (pH 5.5): 68.64
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 480.71
ACD/KOC (pH 7.4): 2421.09
Polar Surface Area: 117 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

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