ChemSpider 2D Image | (5-{[4-(N-Acetyl-3-methoxy-O-methyltyrosyl)-1,4-diazepan-1-yl]methyl}-2-furyl)methyl acetate | C26H35N3O7

(5-{[4-(N-Acetyl-3-methoxy-O-methyltyrosyl)-1,4-diazepan-1-yl]methyl}-2-furyl)methyl acetate

  • Molecular FormulaC26H35N3O7
  • Average mass501.572 Da
  • Monoisotopic mass501.247498 Da
  • ChemSpider ID2924240

More details:

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

(5-{[4-(N-Acetyl-3-methoxy-O-methyltyrosyl)-1,4-diazepan-1-yl]methyl}-2-furyl)methyl acetate [ACD/IUPAC Name]
(5-{[4-(N-Acetyl-3-methoxy-O-methyltyrosyl)-1,4-diazepan-1-yl]methyl}-2-furyl)methyl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[2-[4-[[5-[(acetyloxy)methyl]-2-furanyl]methyl]hexahydro-1H-1,4-diazepin-1-yl]-1-[(3,4-dimethoxyphenyl)methyl]-2-oxoethyl]- [ACD/Index Name]
Acétate de (5-{[4-(N-acétyl-3-méthoxy-O-méthyltyrosyl)-1,4-diazépan-1-yl]méthyl}-2-furyl)méthyle [French] [ACD/IUPAC 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: 690.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.66
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.60
ACD/KOC (pH 7.4): 143.26
Polar Surface Area: 111 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 416.0±3.0 cm3

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