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Search term: SVOIYZOGBVGZOD-JKROCSJBSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (2R,3S,4E,7S,8S)-8-Amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-N-(2-phenylethyl)-4-nonenamide | C32H40N2O4

(2R,3S,4E,7S,8S)-8-Amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-N-(2-phenylethyl)-4-nonenamide

  • Molecular FormulaC32H40N2O4
  • Average mass516.671 Da
  • Monoisotopic mass516.298828 Da
  • ChemSpider ID9116444
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3S,4E,7S,8S)-8-Amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-N-(2-phenylethyl)-4-nonenamid [German] [ACD/IUPAC Name]
(2R,3S,4E,7S,8S)-8-Amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-N-(2-phenylethyl)-4-nonenamide [ACD/IUPAC Name]
(2R,3S,4E,7S,8S)-8-Amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-diméthylphényl)-N-(2-phényléthyl)-4-nonénamide [French] [ACD/IUPAC Name]
Benzenepropanamide, α-[(1S,2E,5S,6S)-6-amino-1,5-dihydroxy-7-(4-hydroxy-2,6-dimethylphenyl)-2-hepten-1-yl]-N-(2-phenylethyl)-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 24.87
Polar Surface Area: 116 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 439.4±3.0 cm3

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