Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | (2R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-5-methoxyphenyl}vinyl]-5-(methoxymethyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol | C37H50O5

(2R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-5-methoxyphenyl}vinyl]-5-(methoxymethyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID28429722

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-5-methoxyphenyl}vinyl]-5-(methoxymethyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol [ACD/IUPAC Name]
(2R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-5-methoxyphenyl}vinyl]-5-(methoxymethyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol [German] [ACD/IUPAC Name]
(2R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-3-hydroxy-5-méthoxyphényl}vinyl]-5-(méthoxyméthyl)-1,1,4a-triméthyl-2,3,4,4a,9,9a-hexahydro-1H-xanthén-2-ol [French] [ACD/IUPAC Name]
1H-Xanthen-2-ol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3-hydroxy-5-methoxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-(methoxymethyl)-1,1,4a-trimethyl-, (2R,4aR,9aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 175.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.35
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2187219.50
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2167951.50
Polar Surface Area: 68 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 526.0±3.0 cm3

Click to predict properties on the Chemicalize site


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