ChemSpider 2D Image | (3S,7E,9R,10S,14R,18E,20R,21S)-3-Benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone | C30H42N2O8

(3S,7E,9R,10S,14R,18E,20R,21S)-3-Benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone

  • Molecular FormulaC30H42N2O8
  • Average mass558.663 Da
  • Monoisotopic mass558.294128 Da
  • ChemSpider ID4925296

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,7E,9R,10S,14R,18E,20R,21S)-3-Benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-dien-2,5,13,16-tetron [German] [ACD/IUPAC Name]
(3S,7E,9R,10S,14R,18E,20R,21S)-3-Benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone [ACD/IUPAC Name]
(3S,7E,9R,10S,14R,18E,20R,21S)-3-Benzyl-10,21-diméthoxy-9,14,20-triméthyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diène-2,5,13,16-tétrone [French] [ACD/IUPAC Name]
1,12-Dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone, 10,21-dimethoxy-3,9,20-trimethyl-14-(phenylmethyl)-, (3R,7E,9R,10S,14S,18E,20R,21S)- [ACD/Index Name]
CMLDBU00002733

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

Density: 1.2±0.1 g/cm3
Boiling Point: 815.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.9±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.40
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.52
ACD/KOC (pH 5.5): 147.48
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 147.48
Polar Surface Area: 129 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 478.7±5.0 cm3

Click to predict properties on the Chemicalize site


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