ChemSpider 2D Image | (2S,3S)-2-(1,3-Benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl (3,4,5-trimethoxyphenyl)carbamate | C27H25NO10

(2S,3S)-2-(1,3-Benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl (3,4,5-trimethoxyphenyl)carbamate

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID7827036

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(1,3-Benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl (3,4,5-trimethoxyphenyl)carbamate [ACD/IUPAC Name]
(2S,3S)-2-(1,3-Benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-(3,4,5-trimethoxyphenyl)carbamat [German] [ACD/IUPAC Name]
(3,4,5-Triméthoxyphényl)carbamate de (2S,3S)-2-(1,3-benzodioxol-5-yl)-7-méthoxy-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(3,4,5-trimethoxyphenyl)-, (2S,3S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-7-methoxy-4-oxo-2H-1-benzopyran-3-yl ester [ACD/Index Name]
CMLDBU00003658

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

MLS000438795 [DBID]
SMR000113153 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.79
ACD/KOC (pH 5.5): 1641.22
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.76
ACD/KOC (pH 7.4): 1641.01
Polar Surface Area: 120 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 365.9±5.0 cm3

Click to predict properties on the Chemicalize site


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