Found 13 results

Search term: MF = 'C_{44}H_{55}N_{3}O_{9}'
ChemSpider 2D Image | N-Acetyl-L-phenylalanyl-3-[2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethynyl]-3-{[(4-methylcyclohexyl)oxy]carbonyl}-1-benzofuran-5-yl]-N-(2-hydroxyethyl)-L-alaninamide | C44H55N3O9

N-Acetyl-L-phenylalanyl-3-[2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethynyl]-3-{[(4-methylcyclohexyl)oxy]carbonyl}-1-benzofuran-5-yl]-N-(2-hydroxyethyl)-L-alaninamide

  • Molecular FormulaC44H55N3O9
  • Average mass769.922 Da
  • Monoisotopic mass769.393860 Da
  • ChemSpider ID5045380

  • defined stereocentres - 2 of 4 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]-3-[[(4-methylcyclohexyl)oxy]carbonyl]-5-benzofuranyl]-N-(2-hydroxyethyl)- [ACD/Index Name]
N-Acetyl-L-phenylalanyl-3-[2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)ethinyl]-3-{[(4-methylcyclohexyl)oxy]carbonyl}-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]-3-{[(4-methylcyclohexyl)oxy]carbonyl}-1-benzofuran-5-yl]-N-(2-hydroxyethyl)-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-L-phénylalanyl-3-[2-(1-hydroxycyclopentyl)-7-[(1-hydroxycyclopentyl)éthynyl]-3-{[(4-méthylcyclohexyl)oxy]carbonyl}-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_000648 [DBID]
ICCB3_000296 [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: 1052.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.4±3.0 kJ/mol
Flash Point: 590.2±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 210.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5188.22
ACD/KOC (pH 5.5): 15868.10
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5188.21
ACD/KOC (pH 7.4): 15868.04
Polar Surface Area: 187 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 586.0±5.0 cm3

Click to predict properties on the Chemicalize site


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