ChemSpider 2D Image | HSAF | C29H40N2O6

HSAF

  • Molecular FormulaC29H40N2O6
  • Average mass512.638 Da
  • Monoisotopic mass512.288635 Da
  • ChemSpider ID34227627
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 11 defined stereocentres


More details:






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

(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-Ethyl-7,24,28-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1(28),3,18-trien-2,20,27-trion [German] [ACD/IUPAC Name]
(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-Ethyl-7,24,28-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1(28),3,18-triene-2,20,27-trione [ACD/IUPAC Name]
(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-Éthyl-7,24,28-trihydroxy-10-méthyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1(28),3,18-triène-2,20,27-trione [French] [ACD/IUPAC Name]
9,12-Metheno-12H-cyclopent[1,2]indeno[4,5-k][1,6]diazacycloheptadecine-4,11,13(1H)-trione, 19-ethyl-5,6,7,8,9,10,15a,16,17,17a,17b,18,19,20,20a,21,21a,21b-octadecahydro-8,17,22-trihydroxy-18-methyl-, (2Z,14E,15aS,17S,17aR,17bS,18S,19S,20aR,21aR,21bS)- [ACD/Index Name]
dihydromaltophilin
HSAF

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.2±6.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 20.71
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 392.8±5.0 cm3

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