ChemSpider 2D Image | OX1001 | C38H49N7O7

OX1001

  • Molecular FormulaC38H49N7O7
  • Average mass715.838 Da
  • Monoisotopic mass715.369324 Da
  • ChemSpider ID32033361
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2R,3S)-1-[(3S,4aS,8aS)-3-[(2-Methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-4-phenyl-3-{[N2-(2-quinolinylcarbonyl)-L-asparaginyl]amino}-2-butanyl nitrate [ACD/IUPAC Name]
(2R,3S)-3-{[N2-(2-Chinolinylcarbonyl)-L-asparaginyl]amino}-1-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isochinolinyl]-4-phenyl-2-butanylnitrat [German] [ACD/IUPAC Name]
L-Aspartamide, N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-(nitrooxy)-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)- [ACD/Index Name]
Nitrate de (2R,3S)-1-[(3S,4aS,8aS)-3-[(2-méthyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinoléinyl]-4-phényl-3-{[N2-(2-quinoléinylcarbonyl)-L-asparaginyl]amino}-2-butanyle [French] [ACD/IUPAC Name]
OX1001 [Wiki]
saquinavir-NO

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1029.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.7±3.0 kJ/mol
Flash Point: 576.3±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 195.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2863.85
ACD/KOC (pH 5.5): 8962.73
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4743.88
ACD/KOC (pH 7.4): 14846.49
Polar Surface Area: 202 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 575.5±3.0 cm3

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