ChemSpider 2D Image | (3S,7R,10S,13S,15Z,17S,18R)-4-(3-Bromo-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone | C36H45BrN4O7

(3S,7R,10S,13S,15Z,17S,18R)-4-(3-Bromo-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC36H45BrN4O7
  • Average mass725.669 Da
  • Monoisotopic mass724.247131 Da
  • ChemSpider ID78442447

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3S,7R,10S,13S,15Z,17S,18R)-4-(3-Brom-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(3S,7R,10S,13S,15Z,17S,18R)-4-(3-Bromo-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(3S,7R,10S,13S,15Z,17S,18R)-4-(3-Bromo-4-hydroxyphényl)-7-(1H-indol-3-ylméthyl)-3-méthoxy-8,10,13,15,17,18-hexaméthyl-1-oxa-5,8,11-triazacyclooctadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone, 4-(3-bromo-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-, (3S,7R,10S,13S,15Z,17S,18R)- [ACD/Index Name]
Chrondramide 7C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 945.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 525.6±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 186.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 762.28
ACD/KOC (pH 5.5): 4021.66
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 671.26
ACD/KOC (pH 7.4): 3541.44
Polar Surface Area: 150 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 527.9±5.0 cm3

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