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Search term: 64835252 (Found by CSID)
ChemSpider 2D Image | pyrrospirone H | C32H41NO4

pyrrospirone H

  • Molecular FormulaC32H41NO4
  • Average mass503.672 Da
  • Monoisotopic mass503.303558 Da
  • ChemSpider ID64835252

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-21-Hydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraen-23,24-dion [German] [ACD/IUPAC Name]
(1S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-21-Hydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraene-23,24-dione [ACD/IUPAC Name]
(1S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-21-Hydroxy-4,6,8,10,12-pentaméthyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tétraène-23,24-dione [French] [ACD/IUPAC Name]
pyrrospirone H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18770.16
ACD/KOC (pH 5.5): 39859.78
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18769.89
ACD/KOC (pH 7.4): 39859.21
Polar Surface Area: 76 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

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