ChemSpider 2D Image | (16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(2S)-tetrahydro-2-furanylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone | C32H49N5O8

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(2S)-tetrahydro-2-furanylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID62734566

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(2S)-tetrahydro-2-furanylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-trien-4,15,18,21-tetron [German] [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(2S)-tetrahydro-2-furanylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyéthyl]-19-isobutyl-9-[(2S)-tétrahydro-2-furanylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triène-4,15,18,21-tétrone [French] [ACD/IUPAC Name]
2-Oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone, 16-[(1R)-1-hydroxyethyl]-19-(2-methylpropyl)-9-[[(2S)-tetrahydro-2-furanyl]carbonyl]-, (16S,19R)- [ACD/Index Name]
(16S,19R)-16-[(1R)-1-hydroxyethyl]-19-isobutyl-9-[(2S)-tetrahydrofuran-2-ylcarbonyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1005.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 561.9±34.3 °C
Index of Refraction: 1.499
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.25
Polar Surface Area: 175 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 561.2±3.0 cm3

Click to predict properties on the Chemicalize site


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