ChemSpider 2D Image | 116-9e | C31H32N2O5

116-9e

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID4574961

More details:

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

1(2H)-Pyrimidinehexanoic acid, 4-[1,1'-biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
116-9e
4-[1,1'-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-pyrimidinehexanoic acid
6-{5-[(Benzyloxy)carbonyl]-4-(4-biphenylyl)-6-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl}hexanoic acid [ACD/IUPAC Name]
6-{5-[(Benzyloxy)carbonyl]-4-(4-biphenylyl)-6-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl}hexansäure [German] [ACD/IUPAC Name]
6-{5-[(benzyloxy)carbonyl]-4-(biphenyl-4-yl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl}hexanoic acid
831217-43-7 [RN]
Acide 6-{5-[(benzyloxy)carbonyl]-4-(4-biphénylyl)-6-méthyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl}hexanoïque [French] [ACD/IUPAC Name]
MFCD18632539
1(2H)-PYRIMIDINEHEXANOIC ACID, 4-[1,1-BIPHENYL]-4-YL-3,4-DIHYDRO-6-METHYL-2-OXO-5-[(PHENYLMETHOXY)CARBONYL]-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SDCCGMLS-0091265.P001 [DBID]
UPCMLD00WMAL2-11B [DBID]
UPCMLD00WMAL2-11B:002 [DBID]
UPCMLD00WMAL2-11B:003 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 747.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.3±3.0 kJ/mol
    Flash Point: 405.7±32.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 143.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.33
    ACD/LogD (pH 5.5): 4.61
    ACD/BCF (pH 5.5): 1196.98
    ACD/KOC (pH 5.5): 3247.32
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 19.09
    ACD/KOC (pH 7.4): 51.79
    Polar Surface Area: 96 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 425.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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