ChemSpider 2D Image | (3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-(3-Hydroxybenzyl)-6-isopropyl-10,12-dimethoxy-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone | C34H50N4O8

(3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-(3-Hydroxybenzyl)-6-isopropyl-10,12-dimethoxy-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone

  • Molecular FormulaC34H50N4O8
  • Average mass642.783 Da
  • Monoisotopic mass642.362854 Da
  • ChemSpider ID59053204

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-(3-Hydroxybenzyl)-6-isopropyl-10,12-dimethoxy-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-dien-2,5,8,20-tetron [German] [ACD/IUPAC Name]
(3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-(3-Hydroxybenzyl)-6-isopropyl-10,12-dimethoxy-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone [ACD/IUPAC Name]
(3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-(3-Hydroxybenzyl)-6-isopropyl-10,12-diméthoxy-9,11-diméthyl-19-oxa-1,4,7,25-tétraazabicyclo[19.3.1]pentacosa-13,15-diène-2,5,8,20-tétrone [French] [ACD/IUPAC Name]
19-Oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(1-methylethyl)-, (3S,6S,9R,10R,11S,12S,13E,15E,21S)- [ACD/Index Name]
3-[(3-Hydroxyphenyl)methyl]-10,12-Dimethoxy-9,11-Dimethyl-6-(Propan-2-Yl)-19-Oxa-1,4,7,25-Tetraazabicyclo[19.3.1]pentacosa-13,15-Diene-2,5,8,20-Tetrone
7HG

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 101.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.41
ACD/KOC (pH 7.4): 100.66
Polar Surface Area: 156 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 529.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement