ChemSpider 2D Image | 20(R)PROTOPANAXDIOL | C30H52O3

20(R)PROTOPANAXDIOL

  • Molecular FormulaC30H52O3
  • Average mass460.732 Da
  • Monoisotopic mass460.391632 Da
  • ChemSpider ID28536781

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,12β,14β,20R)-Dammar-24-en-3,12,20-triol [German] [ACD/IUPAC Name]
(3β,12β,14β,20R)-Dammar-24-ene-3,12,20-triol [ACD/IUPAC Name]
(3β,12β,14β,20R)-Dammar-24-ène-3,12,20-triol [French] [ACD/IUPAC Name]
20(R)PROTOPANAXDIOL
Dammar-24-ene-3,12,20-triol, (3β,12β,14β,20R)- [ACD/Index Name]
(1S,3aS,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
(1S,3aS,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
(20R)-Protopanaxdiol
(3S,5R,8R,9R,10R,12R,13R,14S,17S)-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
(3S,5R,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 559.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 226.1±21.9 °C
Index of Refraction: 1.529
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 124219.05
ACD/KOC (pH 5.5): 154169.27
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 124219.05
ACD/KOC (pH 7.4): 154169.27
Polar Surface Area: 61 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 444.5±3.0 cm3

Click to predict properties on the Chemicalize site


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