ChemSpider 2D Image | Waixenicin A | C26H36O7

Waixenicin A

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID34981020

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3E)-5-Acetoxy-1-[(1R,4aS,7Z,11aR)-1-acetoxy-7-methyl-11-methylen-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl-acetat [German] [ACD/IUPAC Name]
(1S,3E)-5-Acetoxy-1-[(1R,4aS,7Z,11aR)-1-acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl acetate [ACD/IUPAC Name]
2-Pentene-1,5-diol, 5-[(1R,4aS,7Z,11aR)-1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-4-yl]-2-methyl-, diacetate, (2E,5S)- [ACD/Index Name]
Acétate de (1S,3E)-5-acétoxy-1-[(1R,4aS,7Z,11aR)-1-acétoxy-7-méthyl-11-méthylène-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-méthyl-3-pentén-1-yle [French] [ACD/IUPAC Name]
Waixenicin A
(2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate [ACD/IUPAC Name]
95230-65-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 233.2±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2255.47
ACD/KOC (pH 5.5): 8746.68
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2255.47
ACD/KOC (pH 7.4): 8746.68
Polar Surface Area: 88 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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