Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | 2-Phenylethyl (2R,3S,4E,7S,8S)-8-amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-4-nonenoate | C32H39NO5

2-Phenylethyl (2R,3S,4E,7S,8S)-8-amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-4-nonenoate

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID8405145

  • 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-diméthylphényl)-4-nonénoate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-Phenylethyl (2R,3S,4E,7S,8S)-8-amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-4-nonenoate [ACD/IUPAC Name]
2-Phenylethyl-(2R,3S,4E,7S,8S)-8-amino-2-benzyl-3,7-dihydroxy-9-(4-hydroxy-2,6-dimethylphenyl)-4-nonenoat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[(1S,2E,5S,6S)-6-amino-1,5-dihydroxy-7-(4-hydroxy-2,6-dimethylphenyl)-2-hepten-1-yl]-, 2-phenylethyl ester, (αR)- [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: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 11.10
ACD/KOC (pH 7.4): 53.33
Polar Surface Area: 113 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 437.0±3.0 cm3

Click to predict properties on the Chemicalize site


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