Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(1S)-1-{4-hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-1-oxo-3-phenyl-2-propanyl]-4-piperidinyl}-2-phenylethyl]carbamate | C36H43N3O6

(3S)-Tetrahydro-3-furanyl [(1S)-1-{4-hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-1-oxo-3-phenyl-2-propanyl]-4-piperidinyl}-2-phenylethyl]carbamate

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID411689

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(1S)-1-{4-hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-1-oxo-3-phenyl-2-propanyl]-4-piperidinyl}-2-phenylethyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(1S)-1-{4-hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-1-oxo-3-phenyl-2-propanyl]-4-piperidinyl}-2-phenylethyl]carbamat [German] [ACD/IUPAC Name]
(3S)-tetrahydrofuran-3-yl [(1S)-1-{4-hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-1-oxo-3-phenylpropan-2-yl]piperidin-4-yl}-2-phenylethyl]carbamate
[(1S)-1-{4-Hydroxy-1-[(2S)-1-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-1-oxo-3-phényl-2-propanyl]-4-pipéridinyl}-2-phényléthyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[1-[(1S)-2-[[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]-4-hydroxy-4-piperidinyl]-2-phenylethyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
((S)-1-{4-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethyl]-piperidin-4-yl}-2-phenyl-ethyl)-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
(2S)-2-(4-{(1S)-1-[((3S)Oxolan-3-yloxy)carbonylamino]-2-phenylethyl}-4-hydroxypiperidyl)-N-((1S,2R)-2-hydroxyindanyl)-3-phenylpropanamide

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

AIDS058467 [DBID]
AIDS-058467 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 860.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.2±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 109.70
ACD/KOC (pH 5.5): 639.10
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 513.27
ACD/KOC (pH 7.4): 2990.28
Polar Surface Area: 120 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 468.9±5.0 cm3

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