Found 364 results

Search term: MF = 'C_{23}H_{31}NO_{6}S'
ChemSpider 2D Image | N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide | C23H31NO6S

N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide

  • Molecular FormulaC23H31NO6S
  • Average mass449.560 Da
  • Monoisotopic mass449.187195 Da
  • ChemSpider ID22883916

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H,8H-Benzo[1,2-b:3,4-b']dipyran-3-acetamide, 9,10-dihydro-N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-5-methoxy-4,8,8-trimethyl-2-oxo- [ACD/Index Name]
N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-(méthylsulfanyl)-2-butanyl]-2-(5-méthoxy-4,8,8-triméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-3-yl)acétamide [French] [ACD/IUPAC Name]
1014041-59-8 [RN]
MolPort-005-910-735
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-3-yl)acetamide
STOCK1N-71695
ZINC12902884

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 697.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 375.8±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 119.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 945.80
    ACD/KOC (pH 5.5): 4695.44
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 945.80
    ACD/KOC (pH 7.4): 4695.44
    Polar Surface Area: 119 Å2
    Polarizability: 47.5±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 371.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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