ChemSpider 2D Image | (10R,11S)-3-Benzyl-14-[3-(dimethylamino)propanoyl]-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one | C27H43N3O5

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

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID80824667

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,11S)-3-Benzyl-14-[3-(dimethylamino)propanoyl]-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-on [German] [ACD/IUPAC Name]
(10R,11S)-3-Benzyl-14-[3-(dimethylamino)propanoyl]-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one [ACD/IUPAC Name]
(10R,11S)-3-Benzyl-14-[3-(diméthylamino)propanoyl]-10,11-dihydroxy-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-[3-(dimethylamino)-1-oxopropyl]-10,11-dihydroxy-3-(phenylmethyl)-, (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: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 409.9±5.0 cm3

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