ChemSpider 2D Image | (2S,3S)-6-Methoxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl [2-(3,4-dimethoxyphenyl)ethyl]carbamate | C28H29NO8

(2S,3S)-6-Methoxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl [2-(3,4-dimethoxyphenyl)ethyl]carbamate

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID7827073

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-6-Methoxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl [2-(3,4-dimethoxyphenyl)ethyl]carbamate [ACD/IUPAC Name]
(2S,3S)-6-Methoxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-[2-(3,4-dimethoxyphenyl)ethyl]carbamat [German] [ACD/IUPAC Name]
[2-(3,4-Diméthoxyphényl)éthyl]carbamate de (2S,3S)-6-méthoxy-2-(3-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-(3,4-dimethoxyphenyl)ethyl]-, (2S,3S)-3,4-dihydro-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2H-1-benzopyran-3-yl ester [ACD/Index Name]
CMLDBU00003695

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 373.9±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1019.88
ACD/KOC (pH 5.5): 4955.85
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1019.80
ACD/KOC (pH 7.4): 4955.49
Polar Surface Area: 102 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 389.8±5.0 cm3

Click to predict properties on the Chemicalize site


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