ChemSpider 2D Image | Dihydrospinosyn A aglycone | C24H36O5

Dihydrospinosyn A aglycone

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID68004033

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-Ethyl-2,13-dihydroxy-14-methyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione [ACD/IUPAC Name]
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-2,13-dihydroxy-14-methyl-, (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)- [ACD/Index Name]
727695-12-7 [RN]
Dihydrospinosyn A aglycone
(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-2,13-dihydroxy-14-methyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 213.3±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.92
ACD/KOC (pH 5.5): 1152.58
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.92
ACD/KOC (pH 7.4): 1152.58
Polar Surface Area: 84 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 340.4±5.0 cm3

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