ChemSpider 2D Image | THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE | C28H35N3O5S

THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE

  • Molecular FormulaC28H35N3O5S
  • Average mass525.660 Da
  • Monoisotopic mass525.229736 Da
  • ChemSpider ID18803050

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,4S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
162849-95-8 [RN]
2-Methyl-2-propanyl [(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
(2S, 3S, 5S)-5-(t-Butyloxycarbonylamino)-2- (N- ( (5-thiazolyl)-methoxycarbonyl) amino)-1,6-diphenhydroxyhexane
(2S, 3S, 5S)-5-(tert-Butoxycarbonylamino)-2-(N-5-thiazolyl-methoxycarbonyl)amino-1,6-diphenyl-3-hydroxy hexane
(2S,3S,5S)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-5-(Tert-butyloxycarbonyl)amino-1,6-diphenyl-3-hydroxyhexane
(2S,3S,5S)-5-(t-Butyloxycarbonylamino)-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-1,6-diphenhydroxyhexane
(2s,3s,5s)-5-(tert-butoxycarbonylamino)-2-(n-5-thiazolylmethoxycarbonyl)amino-1,6-diphenyl-3-hydroxyhexane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A8Y2Q7CAUV [DBID]
UNII:A8Y2Q7CAUV [DBID]
UNII-A8Y2Q7CAUV [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: 722.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.8±3.0 kJ/mol
    Flash Point: 390.6±32.9 °C
    Index of Refraction: 1.584
    Molar Refractivity: 144.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 5.16
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3345.36
    ACD/KOC (pH 5.5): 11597.30
    ACD/LogD (pH 7.4): 4.94
    ACD/BCF (pH 7.4): 3345.78
    ACD/KOC (pH 7.4): 11598.77
    Polar Surface Area: 138 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 431.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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