ChemSpider 2D Image | (3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-Trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one | C27H45NO8

(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-Trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one

  • Molecular FormulaC27H45NO8
  • Average mass511.648 Da
  • Monoisotopic mass511.314514 Da
  • ChemSpider ID8825631

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-Trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-on [German] [ACD/IUPAC Name]
(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-Trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one [ACD/IUPAC Name]
(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-Trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentaméthyl-3-vinyldodécahydro-1H-benzo[f]chromén-1-one [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-1-one, 3-ethenyldodecahydro-6,10,10b-trihydroxy-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,10S,10aR,10bS)- [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: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 9.94
ACD/KOC (pH 5.5): 98.76
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 75.37
ACD/KOC (pH 7.4): 748.84
Polar Surface Area: 129 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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