ChemSpider 2D Image | (2R,6R,7R,10R,13S,14R,15S,16S,18S)-4,4,7,19,20,20-Hexamethyl-15,16-bis(tetrahydro-2H-pyran-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.0~2,6~.0~7,14~.0~10,13~]icos-1(19)-ene-13,18-diol | C33H52O9

(2R,6R,7R,10R,13S,14R,15S,16S,18S)-4,4,7,19,20,20-Hexamethyl-15,16-bis(tetrahydro-2H-pyran-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-13,18-diol

  • Molecular FormulaC33H52O9
  • Average mass592.761 Da
  • Monoisotopic mass592.361145 Da
  • ChemSpider ID8754732

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2R,6R,7R,10R,13S,14R,15S,16S,18S)-4,4,7,19,20,20-Hexamethyl-15,16-bis(tetrahydro-2H-pyran-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13,18-diol [German] [ACD/IUPAC Name]
(2R,6R,7R,10R,13S,14R,15S,16S,18S)-4,4,7,19,20,20-Hexamethyl-15,16-bis(tetrahydro-2H-pyran-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-13,18-diol [ACD/IUPAC Name]
(2R,6R,7R,10R,13S,14R,15S,16S,18S)-4,4,7,19,20,20-Hexaméthyl-15,16-bis(tétrahydro-2H-pyran-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ène-13,18-diol [French] [ACD/IUPAC Name]
4,8-Methano-2H-[1,3]dioxolo[3,4]cyclodeca[1,2-d]-1-benzoxete-2a,6(4H)-diol, 2b,3,5,6,8a,11a,11b,12,13,13a-decahydro-7,10,10,11b,14,14-hexamethyl-3,4-bis[(tetrahydro-2H-pyran-2-yl)oxy]-, (2aS,2bR,3S,4S ,6S,8aR,11aR,11bR,13aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 369.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.65
ACD/KOC (pH 5.5): 1788.96
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.65
ACD/KOC (pH 7.4): 1788.95
Polar Surface Area: 105 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 472.3±5.0 cm3

Click to predict properties on the Chemicalize site


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