Found 15 results

Search term: PGOLWKTUHWHYJS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3-{[(2R)-2-({[(1S,2R,5S)-Adamantan-2-yloxy](hydroxy)methylene}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-methylpropylidene]amino}-4-phenylbutanoic acid | C33H39N3O5

(3S)-3-{[(2R)-2-({[(1S,2R,5S)-Adamantan-2-yloxy](hydroxy)methylene}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-methylpropylidene]amino}-4-phenylbutanoic acid

  • Molecular FormulaC33H39N3O5
  • Average mass557.680 Da
  • Monoisotopic mass557.289001 Da
  • ChemSpider ID57643108

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S)-3-{[(2R)-2-({[(1S,2R,5S)-Adamantan-2-yloxy](hydroxy)methylen}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-methylpropyliden]amino}-4-phenylbutansäure [German] [ACD/IUPAC Name]
(3S)-3-{[(2R)-2-({[(1S,2R,5S)-Adamantan-2-yloxy](hydroxy)methylene}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-methylpropylidene]amino}-4-phenylbutanoic acid [ACD/IUPAC Name]
Acide (3S)-3-{[(2R)-2-({[(1S,2R,5S)-adamantan-2-yloxy](hydroxy)méthylène}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-méthylpropylidène]amino}-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[(2R)-1-hydroxy-2-[[hydroxy[(1S,2R,5S)-tricyclo[3.3.1.13,7]dec-2-yloxy]methylene]amino]-3-(1H-indol-3-yl)-2-methylpropylidene]amino]-, (βS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.6±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 6.31
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 406.1±7.0 cm3

Click to predict properties on the Chemicalize site


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