ChemSpider 2D Image | (9S,15R,17R)-6-Hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.1~9,17~.0~3,8~.0~10,15~]heptacosa-1(24),3,5,7,22,25-hexaen-19-one | C25H29NO5

(9S,15R,17R)-6-Hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one

  • Molecular FormulaC25H29NO5
  • Average mass423.501 Da
  • Monoisotopic mass423.204559 Da
  • ChemSpider ID115015249

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9S,15R,17R)-6-Hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-on [German] [ACD/IUPAC Name]
(9S,15R,17R)-6-Hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one [ACD/IUPAC Name]
(9S,15R,17R)-6-Hydroxy-5-méthoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaén-19-one [French] [ACD/IUPAC Name]
12,15-Etheno-6,20-methano-2H,6H,18H-pyrido[2,1-l][1,9,13]benzodioxaazacyclohexadecin-18-one, 1,3,4,16,17,20,21,21a-octahydro-8-hydroxy-9-methoxy-, (6S,20R,21aR)- [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: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 323.5±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 28.86
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 144.92
ACD/KOC (pH 7.4): 1024.91
Polar Surface Area: 68 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 324.5±5.0 cm3

Click to predict properties on the Chemicalize site


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