ChemSpider 2D Image | N-Acetyl-L-phenylalanyl-3-{2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethynyl]-1-benzofuran-5-yl}-N-(2-hydroxyethyl)-L-alaninamide | C36H43N3O7

N-Acetyl-L-phenylalanyl-3-{2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethynyl]-1-benzofuran-5-yl}-N-(2-hydroxyethyl)-L-alaninamide

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID5045373

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-acetyl-L-phenylalanyl-3-[2-(1-hydroxycyclopentyl)-7-[2-(1-hydroxycyclopentyl)ethynyl]-5-benzofuranyl]-N-(2-hydroxyethyl)- [ACD/Index Name]
N-Acetyl-L-phenylalanyl-3-{2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethinyl]-1-benzofuran-5-yl}-N-(2-hydroxyethyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-phenylalanyl-3-{2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethynyl]-1-benzofuran-5-yl}-N-(2-hydroxyethyl)-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-L-phénylalanyl-3-{2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)éthynyl]-1-benzofuran-5-yl}-N-(2-hydroxyéthyl)-L-alaninamide [French] [ACD/IUPAC Name]

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

CBiol_000640 [DBID]
ICCB3_000288 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 994.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 555.2±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.89
ACD/KOC (pH 5.5): 1044.21
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.89
ACD/KOC (pH 7.4): 1044.20
Polar Surface Area: 161 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 473.5±5.0 cm3

Click to predict properties on the Chemicalize site


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