ChemSpider 2D Image | (3E,5E,7R,8S,12S,13S,14E,16S)-21-Chloro-8,16-dihydroxy-7,22-dimethoxy-3,13,15-trimethyl-11-oxa-9,19-diazatricyclo[18.3.1.1~8,12~]pentacosa-1(24),3,5,14,20,22-hexaene-10,18-dione | C27H35ClN2O7

(3E,5E,7R,8S,12S,13S,14E,16S)-21-Chloro-8,16-dihydroxy-7,22-dimethoxy-3,13,15-trimethyl-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaene-10,18-dione

  • Molecular FormulaC27H35ClN2O7
  • Average mass535.029 Da
  • Monoisotopic mass534.213257 Da
  • ChemSpider ID30790877

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E,5E,7R,8S,12S,13S,14E,16S)-21-Chlor-8,16-dihydroxy-7,22-dimethoxy-3,13,15-trimethyl-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaen-10,18-dion [German] [ACD/IUPAC Name]
(3E,5E,7R,8S,12S,13S,14E,16S)-21-Chloro-8,16-dihydroxy-7,22-dimethoxy-3,13,15-trimethyl-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaene-10,18-dione [ACD/IUPAC Name]
(3E,5E,7R,8S,12S,13S,14E,16S)-21-Chloro-8,16-dihydroxy-7,22-diméthoxy-3,13,15-triméthyl-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaène-10,18-dione [French] [ACD/IUPAC Name]
11-Oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaene-10,18-dione, 21-chloro-8,16-dihydroxy-7,22-dimethoxy-3,13,15-trimethyl-, (3E,5E,7R,8S,12S,13S,14E,16S)- [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: 782.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.06
ACD/KOC (pH 5.5): 2732.99
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 442.94
ACD/KOC (pH 7.4): 2726.11
Polar Surface Area: 126 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 408.7±5.0 cm3

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