ChemSpider 2D Image | (1R,2S,5S,8S,9R,17R,18R,21S,24R,26S,27S)-5-Hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacosa-11,14-diene-4,10,22,29-tetrone | C28H30O9

(1R,2S,5S,8S,9R,17R,18R,21S,24R,26S,27S)-5-Hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone

  • Molecular FormulaC28H30O9
  • Average mass510.532 Da
  • Monoisotopic mass510.188995 Da
  • ChemSpider ID10265361

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,5S,8S,9R,17R,18R,21S,24R,26S,27S)-5-Hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-dien-4,10,22,29-tetron [German] [ACD/IUPAC Name]
(1R,2S,5S,8S,9R,17R,18R,21S,24R,26S,27S)-5-Hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone [ACD/IUPAC Name]
(1R,2S,5S,8S,9R,17R,18R,21S,24R,26S,27S)-5-Hydroxy-2,9,26-triméthyl-3,19,23,28-tétraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diène-4,10,22,29-tétrone [French] [ACD/IUPAC Name]
23133-56-4 [RN]
physalin B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.28
ACD/KOC (pH 5.5): 321.00
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.28
ACD/KOC (pH 7.4): 321.00
Polar Surface Area: 125 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement