ChemSpider 2D Image | 2-Methyl-2-propanyl (4a'S,5'S,10b'S)-7'-hydroxy-5'-methyl-5'-(4-methyl-3-penten-1-yl)-4a',10b'-dihydro-4H,4'H,5'H-spiro[1,4-oxazinane-2,3'-pyrano[3,2-c]chromene]-4-carboxylate | C27H39NO6

2-Methyl-2-propanyl (4a'S,5'S,10b'S)-7'-hydroxy-5'-methyl-5'-(4-methyl-3-penten-1-yl)-4a',10b'-dihydro-4H,4'H,5'H-spiro[1,4-oxazinane-2,3'-pyrano[3,2-c]chromene]-4-carboxylate

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID60582497

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Methyl-2-propanyl (4a'S,5'S,10b'S)-7'-hydroxy-5'-methyl-5'-(4-methyl-3-penten-1-yl)-4a',10b'-dihydro-4H,4'H,5'H-spiro[1,4-oxazinane-2,3'-pyrano[3,2-c]chromene]-4-carboxylate [ACD/IUPAC Name]
Spiro[morpholine-2,3'(4'H)-[2H,5H]pyrano[3,2-c][1]benzopyran]-4-carboxylic acid, 4'a,10'b-dihydro-7'-hydroxy-5'-methyl-5'-(4-methyl-3-penten-1-yl)-, 1,1-dimethylethyl ester, (4a'S,5'S,10b'S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11497.01
ACD/KOC (pH 5.5): 28063.21
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11364.22
ACD/KOC (pH 7.4): 27739.07
Polar Surface Area: 77 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement