ChemSpider 2D Image | (2S)-1-{(2S,4R)-2-Hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-4-[(~2~H_5_)phenylmethyl]pentyl}-N-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide (non-prefe rred name) | C36H42D5N5O4

(2S)-1-{(2S,4R)-2-Hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-4-[(2H5)phenylmethyl]pentyl}-N-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide (non-prefe rred name)

  • Molecular FormulaC36H42D5N5O4
  • Average mass618.820 Da
  • Monoisotopic mass618.394165 Da
  • ChemSpider ID9574265

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-1-{(2S,4R)-2-Hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-4-[(2H5)phenylmethyl]pentyl}-N-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazincarboxamid (non-preferr ed name) [German] [ACD/IUPAC Name]
(2S)-1-{(2S,4R)-2-Hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-4-[(2H5)phenylmethyl]pentyl}-N-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide (non-prefe rred name) [ACD/IUPAC Name]
(2S)-1-{(2S,4R)-2-Hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxo-4-[(2H5)phénylméthyl]pentyl}-N-(2-méthyl-2-propanyl)-4-(3-pyridinylméthyl)-2-pipérazinecarboxamide (non-prefe rred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 877.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 484.7±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 176.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 50.65
ACD/KOC (pH 5.5): 452.04
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.03
ACD/KOC (pH 7.4): 1053.30
Polar Surface Area: 118 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 491.0±5.0 cm3

Click to predict properties on the Chemicalize site


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