Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{acetyl[2-(4-methylphenyl)-4-oxo-3(4H)-quinazolinyl]amino}tetrahydro-2H-pyran-3,4,5-triyl triacetate | C31H33N3O11

(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{acetyl[2-(4-methylphenyl)-4-oxo-3(4H)-quinazolinyl]amino}tetrahydro-2H-pyran-3,4,5-triyl triacetate

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID8230234

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{acetyl[2-(4-methylphenyl)-4-oxo-3(4H)-chinazolinyl]amino}tetrahydro-2H-pyran-3,4,5-triyl-triacetat [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{acetyl[2-(4-methylphenyl)-4-oxo-3(4H)-quinazolinyl]amino}tetrahydro-2H-pyran-3,4,5-triyl triacetate [ACD/IUPAC Name]
Triacétate de (2R,3R,4S,5R,6R)-2-(acétoxyméthyl)-6-{acétyl[2-(4-méthylphényl)-4-oxo-3(4H)-quinazolinyl]amino}tétrahydro-2H-pyrane-3,4,5-triyle [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: 696.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.16
ACD/KOC (pH 5.5): 1135.40
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.16
ACD/KOC (pH 7.4): 1135.40
Polar Surface Area: 167 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 453.7±7.0 cm3

Click to predict properties on the Chemicalize site


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