ChemSpider 2D Image | (10R,11S)-14-(Cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one | C29H45N3O5

(10R,11S)-14-(Cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID80824613

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,11S)-14-(Cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-on [German] [ACD/IUPAC Name]
(10R,11S)-14-(Cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one [ACD/IUPAC Name]
(10R,11S)-14-(Cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylméthyl)-8-oxa-3,14-diazaspiro[5.12]octadécan-7-one [French] [ACD/IUPAC Name]
8-Oxa-3,14-diazaspiro[5.12]octadecan-7-one, 14-(cycloheptylcarbonyl)-10,11-dihydroxy-3-(2-pyridinylmethyl)-, (10R,11S)- [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: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.48
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 26.64
ACD/KOC (pH 7.4): 282.68
Polar Surface Area: 103 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 426.6±5.0 cm3

Click to predict properties on the Chemicalize site


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