ChemSpider 2D Image | (3R,4S,5R,6S)-5-Hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate (no n-preferred name) | C31H38N2O11

(3R,4S,5R,6S)-5-Hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate (no n-preferred name)

  • Molecular FormulaC31H38N2O11
  • Average mass614.640 Da
  • Monoisotopic mass614.247559 Da
  • ChemSpider ID114390093

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3R,4S,5R,6S)-5-Hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate (no n-preferred name) [ACD/IUPAC Name]
(3R,4S,5R,6S)-5-Hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-ylcarbamat (non- preferred name) [German] [ACD/IUPAC Name]
Carbamate de (3R,4S,5R,6S)-5-hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzoyl]amino}-8-méthyl-2-oxo-3,4-dihydro-2H-chromén-7-yl)oxy]-3-méthoxy-2,2-diméthyltétrahydro-2H-pyran-4-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 820.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 450.2±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.44
ACD/KOC (pH 5.5): 616.27
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.52
ACD/KOC (pH 7.4): 594.97
Polar Surface Area: 196 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 439.2±5.0 cm3

Click to predict properties on the Chemicalize site


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