ChemSpider 2D Image | (4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C26H43N3O4

(4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID68151878

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-7-(Cyclopropylméthyl)-2-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-9-hydroxy-10,10-diméthyltétradécahydropyrido[4,3-i][1,6]oxazacyclotridécin-6(7H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-i][1,6]oxaazacyclotridecin-6(7H)-one, 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-isoxazolyl)methyl]tetradecahydro-9-hydroxy-10,10-dimethyl-, (4aS,9R,15aR)- [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: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 37.46
ACD/KOC (pH 7.4): 292.26
Polar Surface Area: 79 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

Click to predict properties on the Chemicalize site


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