ChemSpider 2D Image | (10R,11S)-14-[3-(4-Chlorophenyl)propanoyl]-10,11-dihydroxy-3-(4-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one | C30H40ClN3O5

(10R,11S)-14-[3-(4-Chlorophenyl)propanoyl]-10,11-dihydroxy-3-(4-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

  • Molecular FormulaC30H40ClN3O5
  • Average mass558.109 Da
  • Monoisotopic mass557.265625 Da
  • ChemSpider ID77211645

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,11S)-14-[3-(4-Chlorophenyl)propanoyl]-10,11-dihydroxy-3-(4-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one [ACD/IUPAC Name]
(10R,11S)-14-[3-(4-Chlorophényl)propanoyl]-10,11-dihydroxy-3-(4-pyridinylméthyl)-8-oxa-3,14-diazaspiro[5.12]octadécan-7-one [French] [ACD/IUPAC Name]
(10R,11S)-14-[3-(4-Chlorphenyl)propanoyl]-10,11-dihydroxy-3-(4-pyridinylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-on [German] [ACD/IUPAC Name]
8-Oxa-3,14-diazaspiro[5.12]octadecan-7-one, 14-[3-(4-chlorophenyl)-1-oxopropyl]-10,11-dihydroxy-3-(4-pyridinylmethyl)-, (10R,11S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 9.68
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 59.75
ACD/KOC (pH 7.4): 489.11
Polar Surface Area: 103 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

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