ChemSpider 2D Image | (3R,6S,9S,15S)-13-(2,5-Dimethyl-3-furoyl)-9-isobutyl-15-isopropyl-6-(4-methoxybenzyl)-3-methyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11-tetrone | C33H47N5O7

(3R,6S,9S,15S)-13-(2,5-Dimethyl-3-furoyl)-9-isobutyl-15-isopropyl-6-(4-methoxybenzyl)-3-methyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11-tetrone

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID71342530

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,6S,9S,15S)-13-(2,5-Dimethyl-3-furoyl)-9-isobutyl-15-isopropyl-6-(4-methoxybenzyl)-3-methyl-1,4,7,10,13-pentaazacyclopentadecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3R,6S,9S,15S)-13-(2,5-Dimethyl-3-furoyl)-9-isobutyl-15-isopropyl-6-(4-methoxybenzyl)-3-methyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3R,6S,9S,15S)-13-(2,5-Diméthyl-3-furoyl)-9-isobutyl-15-isopropyl-6-(4-méthoxybenzyl)-3-méthyl-1,4,7,10,13-pentaazacyclopentadécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1,4,7,10,13-Pentaazacyclopentadecane-2,5,8,11-tetrone, 13-[(2,5-dimethyl-3-furanyl)carbonyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-15-(1-methylethyl)-9-(2-methylpropyl)-, (3R,6S,9S,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 936.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 520.0±34.3 °C
Index of Refraction: 1.507
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.39
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 177.39
Polar Surface Area: 159 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 565.0±3.0 cm3

Click to predict properties on the Chemicalize site


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