Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | 3-[(3R,4a'R,5'R,10b'R)-5'-Methyl-1-(5,6,7,8-tetrahydro-2-naphthalenylacetyl)-4a',10b'-dihydro-4'H,5'H-spiro[piperidine-3,3'-pyrano[3,2-c]chromen]-5'-yl]propanoic acid | C32H39NO5

3-[(3R,4a'R,5'R,10b'R)-5'-Methyl-1-(5,6,7,8-tetrahydro-2-naphthalenylacetyl)-4a',10b'-dihydro-4'H,5'H-spiro[piperidine-3,3'-pyrano[3,2-c]chromen]-5'-yl]propanoic acid

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID68725549

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3R,4a'R,5'R,10b'R)-5'-Methyl-1-(5,6,7,8-tetrahydro-2-naphthalenylacetyl)-4a',10b'-dihydro-4'H,5'H-spiro[piperidine-3,3'-pyrano[3,2-c]chromen]-5'-yl]propanoic acid [ACD/IUPAC Name]
Spiro[piperidine-3,3'(4'H)-[2H,5H]pyrano[3,2-c][1]benzopyran]-5'-propanoic acid, 4'a,10'b-dihydro-5'-methyl-1-[2-(5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]-, (3R,4'aR,5'R,10'bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 3280.30
ACD/KOC (pH 5.5): 5882.42
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 51.60
ACD/KOC (pH 7.4): 92.53
Polar Surface Area: 76 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

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