ChemSpider 2D Image | BOC-ASP(OBZL)-PHE-OH | C25H30N2O7

BOC-ASP(OBZL)-PHE-OH

  • Molecular FormulaC25H30N2O7
  • Average mass470.515 Da
  • Monoisotopic mass470.205292 Da
  • ChemSpider ID29367813

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[(2S)-4-(Benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-{[(2S)-4-(Benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-phenylpropansäure [German] [ACD/IUPAC Name]
68763-45-1 [RN]
Acide (2S)-2-{[(2S)-4-(benzyloxy)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-phénylpropanoïque [French] [ACD/IUPAC Name]
BOC-ASP(OBZL)-PHE-OH
(2S)-2-[(2S)-4-(BENZYLOXY)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOBUTANAMIDO]-3-PHENYLPROPANOIC ACID
(2S)-2-[(2S)-4-(BENZYLOXY)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-4-OXOBUTANAMIDO]-3-PHENYLPROPANOIC ACID
(S)-2-((S)-4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanamido)-3-phenylpropanoic acid
[68763-45-1] [RN]
MFCD00270492
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 711.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.2±3.0 kJ/mol
    Flash Point: 384.1±32.9 °C
    Index of Refraction: 1.560
    Molar Refractivity: 123.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 4.80
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 1.54
    ACD/KOC (pH 5.5): 10.11
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 131 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 381.7±3.0 cm3

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