Found 574 results

Search term: MF = 'C_{28}H_{44}N_{4}O_{4}'
ChemSpider 2D Image | (2R,5S,8R,11R,14S)-5-Cyclopropyl-11-isobutyl-2,7,8,14-tetramethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-1,4,7,10,13-benzoxatetraazacyclooctadecine-6,9,12(3H)-trione | C28H44N4O4

(2R,5S,8R,11R,14S)-5-Cyclopropyl-11-isobutyl-2,7,8,14-tetramethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-1,4,7,10,13-benzoxatetraazacyclooctadecine-6,9,12(3H)-trione

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID81367864

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,5S,8R,11R,14S)-5-Cyclopropyl-11-isobutyl-2,7,8,14-tetramethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-1,4,7,10,13-benzoxatetraazacyclooctadecin-6,9,12(3H)-trion [German] [ACD/IUPAC Name]
(2R,5S,8R,11R,14S)-5-Cyclopropyl-11-isobutyl-2,7,8,14-tetramethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-1,4,7,10,13-benzoxatetraazacyclooctadecine-6,9,12(3H)-trione [ACD/IUPAC Name]
(2R,5S,8R,11R,14S)-5-Cyclopropyl-11-isobutyl-2,7,8,14-tétraméthyl-4,5,7,8,10,11,13,14,15,16-décahydro-2H-1,4,7,10,13-benzoxatétraazacyclooctadécine-6,9,12(3H)-trione [French] [ACD/IUPAC Name]
2H-1,4,7,10,13-Benzoxatetraazacyclooctadecine-6,9,12(3H)-trione, 5-cyclopropyl-4,5,7,8,10,11,13,14,15,16-decahydro-2,7,8,14-tetramethyl-11-(2-methylpropyl)-, (2R,5S,8R,11R,14S)- [ACD/Index Name]
1008993-65-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 739.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction: 1.488
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 24.45
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 47.26
ACD/KOC (pH 7.4): 505.46
Polar Surface Area: 100 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 486.6±3.0 cm3

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