Found 10 results

Search term: MF = 'C_{40}H_{40}O_{9}'
ChemSpider 2D Image | (2R,3S)-5-Hydroxy-1',4',8'-trimethoxy-2,3'-dimethyl-3-[(1,4,8-trimethoxy-3-methyl-2-naphthyl)methyl]-2,3-dihydro-2,2'-binaphthalene-1,4-dione | C40H40O9

(2R,3S)-5-Hydroxy-1',4',8'-trimethoxy-2,3'-dimethyl-3-[(1,4,8-trimethoxy-3-methyl-2-naphthyl)methyl]-2,3-dihydro-2,2'-binaphthalene-1,4-dione

  • Molecular FormulaC40H40O9
  • Average mass664.740 Da
  • Monoisotopic mass664.267212 Da
  • ChemSpider ID8851248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-5-Hydroxy-1',4',8'-trimethoxy-2,3'-dimethyl-3-[(1,4,8-trimethoxy-3-methyl-2-naphthyl)methyl]-2,3-dihydro-2,2'-binaphthalene-1,4-dione [ACD/IUPAC Name]
(2R,3S)-5-Hydroxy-1',4',8'-trimethoxy-2,3'-dimethyl-3-[(1,4,8-trimethoxy-3-methyl-2-naphthyl)methyl]-2,3-dihydro-2,2'-binaphthalin-1,4-dion [German] [ACD/IUPAC Name]
(2R,3S)-5-Hydroxy-1',4',8'-triméthoxy-2,3'-diméthyl-3-[(1,4,8-triméthoxy-3-méthyl-2-naphtyl)méthyl]-2,3-dihydro-2,2'-binaphtalène-1,4-dione [French] [ACD/IUPAC Name]
[2,2'-Binaphthalene]-1,4-dione, 2,3-dihydro-5-hydroxy-1',4',8'-trimethoxy-2,3'-dimethyl-3-[(1,4,8-trimethoxy-3-methyl-2-naphthalenyl)methyl]-, (2R,3S)- [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: 856.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 265.3±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 966833.19
ACD/KOC (pH 5.5): 660915.75
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 212368.11
ACD/KOC (pH 7.4): 145172.33
Polar Surface Area: 110 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 533.4±3.0 cm3

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