ChemSpider 2D Image | (10R,11S)-14-(3,4-Dihydro-2(1H)-isoquinolinylacetyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one | C27H41N3O5

(10R,11S)-14-(3,4-Dihydro-2(1H)-isoquinolinylacetyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID80824992

  • 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-Dihydro-2(1H)-isochinolinylacetyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-on [German] [ACD/IUPAC Name]
(10R,11S)-14-(3,4-Dihydro-2(1H)-isoquinolinylacetyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one [ACD/IUPAC Name]
(10R,11S)-14-[2-(3,4-Dihydro-2(1H)-isoquinoléinyl)acétyl]-10,11-dihydroxy-3-méthyl-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-[2-(3,4-dihydro-2(1H)-isoquinolinyl)acetyl]-10,11-dihydroxy-3-methyl-, (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: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 94 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site


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