ChemSpider 2D Image | FIJIOLIDE B | C32H36Cl2N2O9

FIJIOLIDE B

  • Molecular FormulaC32H36Cl2N2O9
  • Average mass663.542 Da
  • Monoisotopic mass662.179810 Da
  • ChemSpider ID25028537

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4R,14R,19S)-19-Amino-22,25-dichlor-4-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pe ntacosa-1(22),5,7,9(25),10,12,20,23-octaen-17-on [German] [ACD/IUPAC Name]
(3R,4R,14R,19S)-19-Amino-22,25-dichloro-4-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]p entacosa-1(22),5,7,9(25),10,12,20,23-octaen-17-one [ACD/IUPAC Name]
(3R,4R,14R,19S)-19-Amino-22,25-dichloro-4-{[(2S,3R,4R,5S)-5-(diméthylamino)-3,4-dihydroxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]p entacosa-1(22),5,7,9(25),10,12,20,23-octaén-17-one [French] [ACD/IUPAC Name]
FIJIOLIDE 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: 854.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 470.8±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 4.12
ACD/KOC (pH 7.4): 55.84
Polar Surface Area: 164 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 430.5±5.0 cm3

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