ChemSpider 2D Image | Acortatarin A | C12H15NO5

Acortatarin A

  • Molecular FormulaC12H15NO5
  • Average mass253.251 Da
  • Monoisotopic mass253.095016 Da
  • ChemSpider ID29355635

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)-4,5-dihydro-1'H,3H-spiro[furan-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde [ACD/IUPAC Name]
Acortatarin A
pollenopyrroside B
Spiro[furan-2(3H),3'(4'H)-[1H]pyrrolo[2,1-c][1,4]oxazine]-6'-carboxaldehyde, 4,5-dihydro-4-hydroxy-5-(hydroxymethyl)-, (2R,4S,5R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 60.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.20
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 62.20
Polar Surface Area: 81 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 161.3±7.0 cm3

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