ChemSpider 2D Image | (4S,10R)-16-Benzyl-24-methoxy-4-methyl-22-oxa-3,6,12,16,19-pentaazatricyclo[21.2.2.0~6,10~]heptacosa-1(25),23,26-triene-2,5,11,18-tetrone | C30H39N5O6

(4S,10R)-16-Benzyl-24-methoxy-4-methyl-22-oxa-3,6,12,16,19-pentaazatricyclo[21.2.2.06,10]heptacosa-1(25),23,26-triene-2,5,11,18-tetrone

  • Molecular FormulaC30H39N5O6
  • Average mass565.661 Da
  • Monoisotopic mass565.290039 Da
  • ChemSpider ID107756167

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,10R)-16-Benzyl-24-methoxy-4-methyl-22-oxa-3,6,12,16,19-pentaazatricyclo[21.2.2.06,10]heptacosa-1(25),23,26-trien-2,5,11,18-tetron [German] [ACD/IUPAC Name]
(4S,10R)-16-Benzyl-24-methoxy-4-methyl-22-oxa-3,6,12,16,19-pentaazatricyclo[21.2.2.06,10]heptacosa-1(25),23,26-triene-2,5,11,18-tetrone [ACD/IUPAC Name]
(4S,10R)-16-Benzyl-24-méthoxy-4-méthyl-22-oxa-3,6,12,16,19-pentaazatricyclo[21.2.2.06,10]heptacosa-1(25),23,26-triène-2,5,11,18-tétrone [French] [ACD/IUPAC Name]
13,16-Etheno-1H-pyrrolo[2,1-m][1,4,7,11,14,17]oxapentaazacyclodocosine-1,8,17,20(9H)-tetrone, 2,3,4,5,6,7,10,11,18,19,22,23,24,24a-tetradecahydro-14-methoxy-19-methyl-6-(phenylmethyl)-, (19S,24aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 900.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 498.3±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.43
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.67
Polar Surface Area: 129 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 439.7±5.0 cm3

Click to predict properties on the Chemicalize site


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