ChemSpider 2D Image | (3S,7Z,9R,10S,14S,18Z,20R,21S)-3,14-Bis[(benzyloxy)methyl]-10,21-dimethoxy-9,20-dimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone | C38H50N2O10

(3S,7Z,9R,10S,14S,18Z,20R,21S)-3,14-Bis[(benzyloxy)methyl]-10,21-dimethoxy-9,20-dimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone

  • Molecular FormulaC38H50N2O10
  • Average mass694.811 Da
  • Monoisotopic mass694.346558 Da
  • ChemSpider ID26361730

  • 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,7Z,9R,10S,14S,18Z,20R,21S)-3,14-Bis[(benzyloxy)methyl]-10,21-dimethoxy-9,20-dimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-dien-2,5,13,16-tetron [German] [ACD/IUPAC Name]
(3S,7Z,9R,10S,14S,18Z,20R,21S)-3,14-Bis[(benzyloxy)methyl]-10,21-dimethoxy-9,20-dimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone [ACD/IUPAC Name]
(3S,7Z,9R,10S,14S,18Z,20R,21S)-3,14-Bis[(benzyloxy)méthyl]-10,21-diméthoxy-9,20-diméthyl-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-9,20-dimethyl-3,14-bis[(phenylmethoxy)methyl]-, (3S,7Z,9R,10S,14S,18Z,20R,21S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 897.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 496.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 187.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.39
ACD/KOC (pH 5.5): 1371.01
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.39
ACD/KOC (pH 7.4): 1371.01
Polar Surface Area: 148 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 580.5±5.0 cm3

Click to predict properties on the Chemicalize site


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