ChemSpider 2D Image | Haematopodin B | C13H13N3O2

Haematopodin B

  • Molecular FormulaC13H13N3O2
  • Average mass243.261 Da
  • Monoisotopic mass243.100784 Da
  • ChemSpider ID28284749

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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(6aR)-2-Imino-2,4,6,6a,9,10-hexahydro-3H,8H-[1,3]oxazino[3,2-a]pyrrolo[4,3,2-de]chinolin-3-on [German] [ACD/IUPAC Name]
(6aR)-2-Imino-2,4,6,6a,9,10-hexahydro-3H,8H-[1,3]oxazino[3,2-a]pyrrolo[4,3,2-de]quinoléin-3-one [French] [ACD/IUPAC Name]
(6aR)-2-Imino-2,4,6,6a,9,10-hexahydro-3H,8H-[1,3]oxazino[3,2-a]pyrrolo[4,3,2-de]quinolin-3-one [ACD/IUPAC Name]
3H,8H-[1,3]Oxazino[3,2-a]pyrrolo[4,3,2-de]quinolin-3-one, 2,4,6,6a,9,10-hexahydro-2-imino-, (6aR)- [ACD/Index Name]
Haematopodin B [Wiki]
haematopodin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 533.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.5±32.9 °C
Index of Refraction: 1.834
Molar Refractivity: 63.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 84.02
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 105.86
Polar Surface Area: 69 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 74.6±7.0 dyne/cm
Molar Volume: 143.9±7.0 cm3

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