ChemSpider 2D Image | FIJIOLIDE A | C34H38Cl2N2O10

FIJIOLIDE A

  • Molecular FormulaC34H38Cl2N2O10
  • Average mass705.579 Da
  • Monoisotopic mass704.190369 Da
  • ChemSpider ID25035084

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

FIJIOLIDE A
N-[(3R,4R,14R,19S)-22,25-Dichlor-4-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-17-oxo-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-19-yl]acetamid [German] [ACD/IUPAC Name]
N-[(3R,4R,14R,19S)-22,25-Dichloro-4-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-17-oxo-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8] pentacosa-1(22),5,7,9(25),10,12,20,23-octaen-19-yl]acetamide [ACD/IUPAC Name]
N-[(3R,4R,14R,19S)-22,25-Dichloro-4-{[(2S,3R,4R,5S)-5-(diméthylamino)-3,4-dihydroxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14,23-dihydroxy-17-oxo-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8] pentacosa-1(22),5,7,9(25),10,12,20,23-octaén-19-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 931.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 516.9±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 169.51
Polar Surface Area: 167 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 463.2±5.0 cm3

Click to predict properties on the Chemicalize site


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