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Search term: 58827870 (Found by CSID)
ChemSpider 2D Image | NEOSPOROL | C15H22O4

NEOSPOROL

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID58827870

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1R,2R,5R,6R,8R,10S)-2,10-Dimethyl-7,11,15-trioxapentacyclo[8.2.2.15,8.01,8.02,6]pentadec-6-yl]methanol [German] [ACD/IUPAC Name]
[(1R,2R,5R,6R,8R,10S)-2,10-Dimethyl-7,11,15-trioxapentacyclo[8.2.2.15,8.01,8.02,6]pentadec-6-yl]methanol [ACD/IUPAC Name]
[(1R,2R,5R,6R,8R,10S)-2,10-Diméthyl-7,11,15-trioxapentacyclo[8.2.2.15,8.01,8.02,6]pentadéc-6-yl]méthanol [French] [ACD/IUPAC Name]
4a,6-Epoxy-3,8b-ethano-1H,5aH-cyclopenta[4,5]furo[3,2-c]pyran-5a-methanol, hexahydro-3,8a-dimethyl-, (3S,4aR,5aR,6R,8aR,8bR)- [ACD/Index Name]
NEOSPOROL
124699-58-7 [RN]
Sporol
UNII:94D5FO7TZX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 186.5±25.1 °C
Index of Refraction: 1.593
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 256.38
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.28
ACD/KOC (pH 7.4): 256.38
Polar Surface Area: 48 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 200.8±5.0 cm3

Click to predict properties on the Chemicalize site


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