ChemSpider 2D Image | RCL T247596 | C33H52O11

RCL T247596

  • Molecular FormulaC33H52O11
  • Average mass624.759 Da
  • Monoisotopic mass624.350952 Da
  • ChemSpider ID22899625

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,3R,4R,5R,9R,10R,11R)-1,10-Dihydroxy-5-[(2-methoxyethoxy)methoxy]-11-(methoxymethoxy)-3-(4-methoxyphenoxy)-9,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-2-yl acetate [ACD/IUPAC Name]
(2S,3R,4R,5R,9R,10R,11R)-1,10-Dihydroxy-5-[(2-methoxyethoxy)methoxy]-11-(methoxymethoxy)-3-(4-methoxyphenoxy)-9,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-2-yl-acetat [German] [ACD/IUPAC Name]
7,10-Methanobenzocyclodecene-5,10,11(2H)-triol, dodecahydro-1-[(2-methoxyethoxy)methoxy]-6-(methoxymethoxy)-12-(4-methoxyphenoxy)-4a,13,13-trimethyl-, 11-acetate, (1R,4aR,5R,6R,11S,12R,12aR)- [ACD/Index Name]
Acétate de (2S,3R,4R,5R,9R,10R,11R)-1,10-dihydroxy-5-[(2-méthoxyéthoxy)méthoxy]-11-(méthoxyméthoxy)-3-(4-méthoxyphénoxy)-9,15,15-triméthyltricyclo[10.2.1.04,9]pentadéc-2-yle [French] [ACD/IUPAC Name]
MFCD10569000
RCL T247596

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 199.9±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 220.61
ACD/KOC (pH 5.5): 1656.43
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 220.61
ACD/KOC (pH 7.4): 1656.42
Polar Surface Area: 131 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 517.0±5.0 cm3

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