ChemSpider 2D Image | (3S,6S,9R,10S,11S,21S)-3-Benzyl-10-hydroxy-6-isopropyl-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacos-13-ene-2,5,8,20-tetrone | C32H48N4O6

(3S,6S,9R,10S,11S,21S)-3-Benzyl-10-hydroxy-6-isopropyl-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacos-13-ene-2,5,8,20-tetrone

  • Molecular FormulaC32H48N4O6
  • Average mass584.747 Da
  • Monoisotopic mass584.357361 Da
  • ChemSpider ID9170683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6S,9R,10S,11S,21S)-3-Benzyl-10-hydroxy-6-isopropyl-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacos-13-en-2,5,8,20-tetron [German] [ACD/IUPAC Name]
(3S,6S,9R,10S,11S,21S)-3-Benzyl-10-hydroxy-6-isopropyl-9,11-dimethyl-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacos-13-ene-2,5,8,20-tetrone [ACD/IUPAC Name]
(3S,6S,9R,10S,11S,21S)-3-Benzyl-10-hydroxy-6-isopropyl-9,11-diméthyl-19-oxa-1,4,7,25-tétraazabicyclo[19.3.1]pentacos-13-ène-2,5,8,20-tétrone [French] [ACD/IUPAC Name]
19-Oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacos-13-ene-2,5,8,20-tetrone, 10-hydroxy-9,11-dimethyl-6-(1-methylethyl)-3-(phenylmethyl)-, (3S,6S,9R,10S,11S,21S)- [ACD/Index Name]

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: 1.570
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.90
ACD/KOC (pH 5.5): 377.04
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.90
ACD/KOC (pH 7.4): 377.04
Polar Surface Area: 137 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 492.3±5.0 cm3

Click to predict properties on the Chemicalize site


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