ChemSpider 2D Image | Colforsin | C27H43NO8

Colforsin

  • Molecular FormulaC27H43NO8
  • Average mass509.632 Da
  • Monoisotopic mass509.298859 Da
  • ChemSpider ID392052
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-β-alaninate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl-N,N-dimethyl-β-alaninat [German] [ACD/IUPAC Name]
113462-26-3 [RN]
1196KQZ976
colforsina [Spanish]
colforsine [French]
colforsinum [Latin]
N,N-Diméthyl-β-alaninate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acétoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-6-yle [French] [ACD/IUPAC Name]
β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 20.16
ACD/KOC (pH 7.4): 126.87
Polar Surface Area: 123 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

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