ChemSpider 2D Image | Physalin A | C28H30O10

Physalin A

  • Molecular FormulaC28H30O10
  • Average mass526.532 Da
  • Monoisotopic mass526.183899 Da
  • ChemSpider ID24710917

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-Trihydroxy-1,14,21-trimethyl-25-methylen-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-dien-13,19,24,27-tetron [German] [ACD/IUPAC Name]
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-Trihydroxy-1,14,21-trimethyl-25-methylene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone [ACD/IUPAC Name]
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-Trihydroxy-1,14,21-triméthyl-25-méthylène-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diène-13,19,24,27-tétrone [French] [ACD/IUPAC Name]
1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,19(1H,10H)-tetrone, 2,3,6,6a,8a,9,10a,10b,14,16,16a,17-dodecahydro-8a,16,17-trihydroxy-2,6a,10b-trimethyl-3-methylene-, (1S,2S,6R ,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)- [ACD/Index Name]
23027-91-0 [RN]
Physalin A
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-Trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.6±6.0 kJ/mol
Flash Point: 283.8±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.66
ACD/KOC (pH 5.5): 163.13
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.62
ACD/KOC (pH 7.4): 162.52
Polar Surface Area: 157 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 339.7±5.0 cm3

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