ChemSpider 2D Image | (1R,5E,9E,18E,25R,26S,27R)-22,24,25,26-Tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylene-3,12,29-trioxatricyclo[23.3.1.0~11,13~]nonacosa-5,9,18-trien-4-one | C32H50O8

(1R,5E,9E,18E,25R,26S,27R)-22,24,25,26-Tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylene-3,12,29-trioxatricyclo[23.3.1.011,13]nonacosa-5,9,18-trien-4-one

  • Molecular FormulaC32H50O8
  • Average mass562.735 Da
  • Monoisotopic mass562.350586 Da
  • ChemSpider ID10249901

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(1R,5E,9E,18E,25R,26S,27R)-22,24,25,26-Tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylen-3,12,29-trioxatricyclo[23.3.1.011,13]nonacosa-5,9,18-trien-4-on [German] [ACD/IUPAC Name]
(1R,5E,9E,18E,25R,26S,27R)-22,24,25,26-Tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylene-3,12,29-trioxatricyclo[23.3.1.011,13]nonacosa-5,9,18-trien-4-one [ACD/IUPAC Name]
(1R,5E,9E,18E,25R,26S,27R)-22,24,25,26-Tétrahydroxy-5,15,19,20,27-pentaméthyl-17-méthylène-3,12,29-trioxatricyclo[23.3.1.011,13]nonacosa-5,9,18-trién-4-one [French] [ACD/IUPAC Name]
amphidinolide L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 225.6±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 957.59
ACD/KOC (pH 5.5): 4737.28
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 957.57
ACD/KOC (pH 7.4): 4737.16
Polar Surface Area: 129 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 479.6±5.0 cm3

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