ChemSpider 2D Image | UNII:6641NS59FP | C28H39NO3

UNII:6641NS59FP

  • Molecular FormulaC28H39NO3
  • Average mass437.614 Da
  • Monoisotopic mass437.292999 Da
  • ChemSpider ID52084766

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4R,4aS,5R,7R,7aS,11aS)-9-[(2S)-1-Hydroxy-2-propanyl]-8-(1H-indol-3-yl)-4,4a,7-triméthyl-2,3,4,4a,5,6,7,7a,10,11-décahydro-1H-benzo[d]naphtalène-1,5-diol [French] [ACD/IUPAC Name]
(1S,4R,4aS,5R,7R,7aS,11aS)-9-[(2S)-1-Hydroxy-2-propanyl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1H-benzo[d]naphthalene-1,5-diol [ACD/IUPAC Name]
(1S,4R,4aS,5R,7R,7aS,11aS)-9-[(2S)-1-Hydroxy-2-propanyl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1H-benzo[d]naphthalin-1,5-diol [German] [ACD/IUPAC Name]
1H-Benzo[d]naphthalene-1,5-diol, 2,3,4,4a,5,6,7,7a,10,11-decahydro-9-[(1S)-2-hydroxy-1-methylethyl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-, (1S,4R,4aS,5R,7R,7aS,11aS)- [ACD/Index Name]
UNII:6641NS59FP
20,25-dihydroxyaflavinine
76410-56-5 [RN]
DIHYDROXYAFLAVININE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.8±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4786.53
ACD/KOC (pH 5.5): 14988.28
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4786.53
ACD/KOC (pH 7.4): 14988.28
Polar Surface Area: 76 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement