ChemSpider 2D Image | (+)-Rugulosin | C30H22O10

(+)-Rugulosin

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID58827797

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(+)-Rugulosin
(1R,2S,13R,14S,15R,17S,28S)-8,12,14,23,27,28-Hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,11,19,21,23,26-octaen-3,10,18,25-tetron [German] [ACD/IUPAC Name]
(1R,2S,13R,14S,15R,17S,28S)-8,12,14,23,27,28-Hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,11,19,21,23,26-octaene-3,10,18,25-tetrone [ACD/IUPAC Name]
(1R,2S,13R,14S,15R,17S,28S)-8,12,14,23,27,28-Hexahydroxy-6,21-diméthyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,11,19,21,23,26-octaène-3,10,18,25-tétrone [French] [ACD/IUPAC Name]
(1R,2S,13R,14S,15R,16R,17S,28S)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone
23537-16-8 [RN]
Rugulosin
RUGULOSIN A
UNII:7020AB775D

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1009.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 578.0±30.8 °C
Index of Refraction: 1.869
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 39.66
ACD/KOC (pH 5.5): 154.08
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 129.8±5.0 dyne/cm
Molar Volume: 288.7±5.0 cm3

Click to predict properties on the Chemicalize site


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