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Search term: AKRWVQHAEBBOTI-WZONZLPQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Roseophilin | C27H33ClN2O2

Roseophilin

  • Molecular FormulaC27H33ClN2O2
  • Average mass453.016 Da
  • Monoisotopic mass452.223053 Da
  • ChemSpider ID27289084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(12R,13R)-15-[5-(3-Chlor-1H-pyrrol-2-yl)-3-methoxy-2-furyl]-13-isopropyl-2-azatricyclo[10.2.1.13,14]hexadeca-1(15),2,14(16)-trien [German] [ACD/IUPAC Name]
(12R,13R)-15-[5-(3-Chloro-1H-pyrrol-2-yl)-3-methoxy-2-furyl]-13-isopropyl-2-azatricyclo[10.2.1.13,14]hexadeca-1(15),2,14(16)-triene [ACD/IUPAC Name]
(12R,13R)-15-[5-(3-Chloro-1H-pyrrol-2-yl)-3-méthoxy-2-furyl]-13-isopropyl-2-azatricyclo[10.2.1.13,14]hexadéca-1(15),2,14(16)-triène [French] [ACD/IUPAC Name]
(4R,5R)-6-[5-(3-Chloro-1H-pyrrol-2-yl)-3-methoxy-2-furanyl]-4,5-dihydro-4-(1-methylethyl)-2,5-octanocyclopenta[b]pyrrole
142386-38-7 [RN]
2,5-Octanocyclopenta[b]pyrrole, 6-[5-(3-chloro-1H-pyrrol-2-yl)-3-methoxy-2-furanyl]-4,5-dihydro-4-(1-methylethyl)-, (4R,5R)- [ACD/Index Name]
Roseophilin [Wiki]
(+)-Roseophilin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 791.91
ACD/KOC (pH 5.5): 1167.50
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 8675.57
ACD/KOC (pH 7.4): 12790.33
Polar Surface Area: 51 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 353.4±7.0 cm3

Click to predict properties on the Chemicalize site


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