ChemSpider 2D Image | N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N~2~,N~2~-dimethyl-L-alloisoleucinamide | C28H44N4O4

N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-alloisoleucinamide

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID4952867

  • 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

N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-alloisoleucinamide [ACD/IUPAC Name]
N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-N2,N2-diméthyl-L-alloisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-(dimethylamino)-3-methyl-N-[(3S,4S,7S,10Z)-3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (2S,3R)- [ACD/Index Name]
18658-41-8 [RN]
25350-22-5 [RN]
frangulanine
Pentanamide, 2-(dimethylamino)-3-methyl-N-(3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3R-(3R*,4S*(2S*,3S*),7S*))-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 42.05
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 167.03
ACD/KOC (pH 7.4): 1194.55
Polar Surface Area: 100 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 452.4±5.0 cm3

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