ChemSpider 2D Image | 7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid | C30H39N3O7

7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid

  • Molecular FormulaC30H39N3O7
  • Average mass553.647 Da
  • Monoisotopic mass553.278809 Da
  • ChemSpider ID35013636

More details:

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

2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-triene-10-carboxylic acid, 4-[(2-hydroxy-4-methyl-1-oxopentyl)amino]-3-(1-methylethyl)-5,8-dioxo-7-(phenylmethyl)- [ACD/Index Name]
7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-carbonsäure [German] [ACD/IUPAC Name]
7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid [ACD/IUPAC Name]
Acide 7-benzyl-4-[(2-hydroxy-4-méthylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),12,15-triène-10-carboxylique [French] [ACD/IUPAC Name]
7-benzyl-4-(2-hydroxy-4-methylpentanamido)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
Vignatic acid A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 881.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.2±3.0 kJ/mol
Flash Point: 486.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.17
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

Click to predict properties on the Chemicalize site


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