ChemSpider 2D Image | damavaricin D | C37H47NO12

damavaricin D

  • Molecular FormulaC37H47NO12
  • Average mass697.769 Da
  • Monoisotopic mass697.309814 Da
  • ChemSpider ID9193115

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7E,9S,10S,11R,12R,13R,14R,15R,16R,17R,18Z,20E)-2,4,10,12,14,16-Hexahydroxy-3,7,9,11,15,17,21,25-octaméthyl-6,22,26,28-tétraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaène-13- carboxylate de méthyle [French] [ACD/IUPAC Name]
3,25-Methano-1H-4-benzazacyclotricosine-14-carboxylic acid, 4,5,10,11,12,13,14,15,16,17,18,21-dodecahydro-11,13,15,17,22,24-hexahydroxy-2,6,10,12,16,18,20,23-octamethyl-1,5,21,26-tetraoxo-, methyl est er, (6E,8Z,10R,11R,12R,13R,14R,15R,16R,17S,18S,19E)- [ACD/Index Name]
damavaricin D
Methyl (7E,9S,10S,11R,12R,13R,14R,15R,16R,17R,18Z,20E)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,15,17,21,25-octamethyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-hepta ene-13-carboxylate [ACD/IUPAC Name]
Methyl-(7E,9S,10S,11R,12R,13R,14R,15R,16R,17R,18Z,20E)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,15,17,21,25-octamethyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-hepta en-13-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 527.9±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 179.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 50.78
ACD/KOC (pH 5.5): 293.52
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 512.4±5.0 cm3

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