ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,4a'S,5'R,10b'S)-8'-(2-methoxy-2-oxoethoxy)-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 | C30H43NO8

2-Methyl-2-propanyl (2R,4a'S,5'R,10b'S)-8'-(2-methoxy-2-oxoethoxy)-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 FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID60584846

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Methyl-2-propanyl (2R,4a'S,5'R,10b'S)-8'-(2-methoxy-2-oxoethoxy)-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-8'-(2-methoxy-2-oxoethoxy)-5'-methyl-5'-(4-methyl-3-penten-1-yl)-, 1,1-dimethylethyl ester, (2R,4a'S,5 'R,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: 620.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17221.87
ACD/KOC (pH 5.5): 37477.70
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17221.87
ACD/KOC (pH 7.4): 37477.70
Polar Surface Area: 93 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 455.2±5.0 cm3

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