ChemSpider 2D Image | (7R,10S,13S,15Z,17S,18R)-4-(3-Bromo-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone | C35H43BrN4O6

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

  • Molecular FormulaC35H43BrN4O6
  • Average mass695.643 Da
  • Monoisotopic mass694.236572 Da
  • ChemSpider ID78442774

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 936.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 520.3±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 719.54
ACD/KOC (pH 5.5): 3858.70
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 624.02
ACD/KOC (pH 7.4): 3346.42
Polar Surface Area: 141 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 560.2±3.0 cm3

Click to predict properties on the Chemicalize site


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