Found 574 results

Search term: MF = 'C_{28}H_{44}N_{4}O_{4}'
ChemSpider 2D Image | (4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C28H44N4O4

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID68151928

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-méthoxyéthyl)-10,10-diméthyl-2-[(1-méthyl-1H-benzimidazol-2-yl)méthyl]tétradécahydropyrido[4,3-i][1,6]oxazacyclotridécin-6(7H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-i][1,6]oxaazacyclotridecin-6(7H)-one, tetradecahydro-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, (4aS,9R,15aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 10.18
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 87.97
ACD/KOC (pH 7.4): 543.40
Polar Surface Area: 80 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 415.2±7.0 cm3

Click to predict properties on the Chemicalize site


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