ChemSpider 2D Image | 4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-7H-PTERIDIN-2-YL]AMINO}-3-METHOXYBENZOIC ACID | C22H27N5O4

4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-7H-PTERIDIN-2-YL]AMINO}-3-METHOXYBENZOIC ACID

  • Molecular FormulaC22H27N5O4
  • Average mass425.481 Da
  • Monoisotopic mass425.206299 Da
  • ChemSpider ID29211805

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-4-((8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxybenzoic acid
4-[[(7R)-8-Cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxybenzoic acid
4-{[(7R)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-{[(7R)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzoic acid [ACD/IUPAC Name]
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzoic acid
4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-7H-PTERIDIN-2-YL]AMINO}-3-METHOXYBENZOIC ACID
755039-56-6 [RN]
Acide 4-{[(7R)-8-cyclopentyl-7-éthyl-5-méthyl-6-oxo-5,6,7,8-tétrahydro-2-ptéridinyl]amino}-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy- [ACD/Index Name]
(r)-4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino) -3-methoxy-benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 710.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.1±3.0 kJ/mol
    Flash Point: 383.6±35.7 °C
    Index of Refraction: 1.631
    Molar Refractivity: 115.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 6.21
    ACD/KOC (pH 5.5): 45.18
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.36
    Polar Surface Area: 108 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 323.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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