Found 348 results

Search term: MF = 'C_{29}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C29H44N2O3

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

  • Molecular FormulaC29H44N2O3
  • Average mass468.671 Da
  • Monoisotopic mass468.335205 Da
  • ChemSpider ID68151884

  • 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-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-7-(Cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-7-(Cyclopropylméthyl)-2-(2,3-dihydro-1H-indén-2-yl)-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-(2,3-dihydro-1H-inden-2-yl)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: 636.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 7.21
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 8.73
ACD/KOC (pH 7.4): 34.03
Polar Surface Area: 53 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 426.7±3.0 cm3

Click to predict properties on the Chemicalize site


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