ChemSpider 2D Image | tert-Butyl (2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)carbamate | C17H30N4O4S

tert-Butyl (2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)carbamate

  • Molecular FormulaC17H30N4O4S
  • Average mass386.509 Da
  • Monoisotopic mass386.198761 Da
  • ChemSpider ID30992015

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino)éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
225797-46-6 [RN]
2-Methyl-2-propanyl [2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)carbamate
MFCD09840083
N-[2-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxo-pentyl]amino]-ethyl]carbamic acid tert-butyl ester
N-Boc-biotinylethylenediamine
tert-Butyl [2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 694.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.7±3.0 kJ/mol
    Flash Point: 373.6±30.1 °C
    Index of Refraction: 1.519
    Molar Refractivity: 100.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 7.40
    ACD/KOC (pH 5.5): 145.85
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 7.40
    ACD/KOC (pH 7.4): 145.85
    Polar Surface Area: 134 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 331.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement