ChemSpider 2D Image | RORIDIN A | C29H40O9

RORIDIN A

  • Molecular FormulaC29H40O9
  • Average mass532.622 Da
  • Monoisotopic mass532.267212 Da
  • ChemSpider ID24642327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1'R,2R,3'R,8'R,12'S,13'R,17'R,18'E,20'Z,24'R,25'S)-12'-Hydroxy-17'-[(1R)-1-hydroxyethyl]-5',13',25'-trimethyl-11'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptac osa[4,18,20]triene]-11',22'-dione [ACD/IUPAC Name]
RORIDIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 246.0±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.86
ACD/KOC (pH 5.5): 191.88
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 191.88
Polar Surface Area: 124 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 412.6±5.0 cm3

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