ChemSpider 2D Image | (1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-Dihydroxy-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-11,13-diene-4,10,22,29-tetron e | C28H30O10

(1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-Dihydroxy-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-11,13-diene-4,10,22,29-tetron e

  • Molecular FormulaC28H30O10
  • Average mass526.532 Da
  • Monoisotopic mass526.183899 Da
  • ChemSpider ID26636731

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-Dihydroxy-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-11,13-dien-4,10,22,29-tetron [German] [ACD/IUPAC Name]
(1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-Dihydroxy-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-11,13-diene-4,10,22,29-tetron e [ACD/IUPAC Name]
(1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-Dihydroxy-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-11,13-diène-4,10,22,29-tétron e [French] [ACD/IUPAC Name]
physalin G

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.10
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.10
Polar Surface Area: 146 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement