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ChemSpider 2D Image | (4S,7S,10S)-4-[(1R)-1-Hydroxyethyl]-10-isopropyl-7-methyl-15-(3-phenoxybenzoyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone | C32H38N6O8

(4S,7S,10S)-4-[(1R)-1-Hydroxyethyl]-10-isopropyl-7-methyl-15-(3-phenoxybenzoyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

  • Molecular FormulaC32H38N6O8
  • Average mass634.680 Da
  • Monoisotopic mass634.275085 Da
  • ChemSpider ID71277135

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,7S,10S)-4-[(1R)-1-Hydroxyethyl]-10-isopropyl-7-methyl-15-(3-phenoxybenzoyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4S,7S,10S)-4-[(1R)-1-Hydroxyethyl]-10-isopropyl-7-methyl-15-(3-phenoxybenzoyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4S,7S,10S)-4-[(1R)-1-Hydroxyéthyl]-10-isopropyl-7-méthyl-15-(3-phénoxybenzoyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
18-Oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]eicosa-17(20),19-diene-2,5,8,11-tetrone, 4-[(1R)-1-hydroxyethyl]-7-methyl-10-(1-methylethyl)-15-(3-phenoxybenzoyl)-, (4S,7S,10S)- [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: 1048.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.6±3.0 kJ/mol
Flash Point: 587.6±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.76
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.76
Polar Surface Area: 192 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 521.4±3.0 cm3

Click to predict properties on the Chemicalize site


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