ChemSpider 2D Image | Methyl (3R)-3-(6-chloro-5-hydroxy-2-pyridinyl)-3-[(3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthoyl)amino]propanoate | C25H27ClN2O8

Methyl (3R)-3-(6-chloro-5-hydroxy-2-pyridinyl)-3-[(3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthoyl)amino]propanoate

  • Molecular FormulaC25H27ClN2O8
  • Average mass518.943 Da
  • Monoisotopic mass518.145569 Da
  • ChemSpider ID9050283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(6-Chloro-5-hydroxy-2-pyridinyl)-3-[(3-hydroxy-6-isopropoxy-7,8-diméthoxy-2-naphtoyl)amino]propanoate de méthyle [French] [ACD/IUPAC Name]
2-Pyridinepropanoic acid, 6-chloro-5-hydroxy-β-[[[3-hydroxy-7,8-dimethoxy-6-(1-methylethoxy)-2-naphthalenyl]carbonyl]amino]-, methyl ester, (βR)- [ACD/Index Name]
Methyl (3R)-3-(6-chloro-5-hydroxy-2-pyridinyl)-3-[(3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthoyl)amino]propanoate [ACD/IUPAC Name]
Methyl-(3R)-3-(6-chlor-5-hydroxy-2-pyridinyl)-3-[(3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthoyl)amino]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 35.95
ACD/KOC (pH 5.5): 222.81
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 136 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 385.8±3.0 cm3

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