ChemSpider 2D Image | (6S)-21-Hydroxy-6,8-dimethyl-13-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-triene-4,7,18-trione | C28H42N4O6

(6S)-21-Hydroxy-6,8-dimethyl-13-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-triene-4,7,18-trione

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID62730067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-21-Hydroxy-6,8-dimethyl-13-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-21-Hydroxy-6,8-dimethyl-13-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-21-Hydroxy-6,8-diméthyl-13-[(2,2,3,3-tétraméthylcyclopropyl)carbonyl]-2-oxa-5,8,13,17-tétraazabicyclo[17.3.1]tricosa-1(23),19,21-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-triene-4,7,18-trione, 21-hydroxy-6,8-dimethyl-13-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-, (6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 837.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 460.0±34.3 °C
Index of Refraction: 1.507
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.94
ACD/KOC (pH 5.5): 166.87
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 158.24
Polar Surface Area: 128 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

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