ChemSpider 2D Image | 5-[(2'S,4a'S,10b'S)-7'-Methoxy-2',5',5'-trimethyl-4a',10b'-dihydro-1H,4'H,5'H-spiro[piperidine-4,3'-pyrano[3,2-c]chromen]-1-yl]-3,3-dimethyl-5-oxopentanoic acid | C27H39NO6

5-[(2'S,4a'S,10b'S)-7'-Methoxy-2',5',5'-trimethyl-4a',10b'-dihydro-1H,4'H,5'H-spiro[piperidine-4,3'-pyrano[3,2-c]chromen]-1-yl]-3,3-dimethyl-5-oxopentanoic acid

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID60585331

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-[(2'S,4a'S,10b'S)-7'-Methoxy-2',5',5'-trimethyl-4a',10b'-dihydro-1H,4'H,5'H-spiro[piperidine-4,3'-pyrano[3,2-c]chromen]-1-yl]-3,3-dimethyl-5-oxopentanoic acid [ACD/IUPAC Name]
Spiro[piperidine-4,3'(4'H)-[2H,5H]pyrano[3,2-c][1]benzopyran]-1-pentanoic acid, 4'a,10'b-dihydro-7'-methoxy-β,β,2',5',5'-pentamethyl-δ-oxo-, (2'S,4'aS,10'bS)- [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: 632.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.1±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 320.80
ACD/KOC (pH 5.5): 1231.34
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.08
ACD/KOC (pH 7.4): 19.50
Polar Surface Area: 85 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 393.8±5.0 cm3

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