Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | Bis[(2R)-1-methoxy-2-propanyl] 2,2'-[(2-methoxy-5-nitro-1,3-phenylene)bis(carbonylimino)]dibenzoate | C31H33N3O11

Bis[(2R)-1-methoxy-2-propanyl] 2,2'-[(2-methoxy-5-nitro-1,3-phenylene)bis(carbonylimino)]dibenzoate

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID10166272

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-[(2-Méthoxy-5-nitro-1,3-phénylène)bis(carbonylimino)]dibenzoate de bis[(2R)-1-méthoxy-2-propanyle] [French] [ACD/IUPAC Name]
Benzoic acid, 2,2'-[(2-methoxy-5-nitro-1,3-phenylene)bis(carbonylimino)]bis-, bis[(1R)-2-methoxy-1-methylethyl] ester [ACD/Index Name]
Bis[(2R)-1-methoxy-2-propanyl] 2,2'-[(2-methoxy-5-nitro-1,3-phenylene)bis(carbonylimino)]dibenzoate [ACD/IUPAC Name]
Bis[(2R)-1-methoxy-2-propanyl]-2,2'-[(2-methoxy-5-nitro-1,3-phenylen)bis(carbonylimino)]dibenzoat [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: 654.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2380.49
ACD/KOC (pH 5.5): 9091.03
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2379.55
ACD/KOC (pH 7.4): 9087.45
Polar Surface Area: 184 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 471.3±3.0 cm3

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