Found 107 results

Search term: MF = 'C_{28}H_{47}N_{3}O_{5}S'
ChemSpider 2D Image | Diamino(dimethylamino)methyl (Z)-{(8alpha,13Z,14alpha)-14-[2-(3-furyl)ethyl]-8-methylpodocarpan-13-ylidene}methyl sulfate | C28H47N3O5S

Diamino(dimethylamino)methyl (Z)-{(8α,13Z,14α)-14-[2-(3-furyl)ethyl]-8-methylpodocarpan-13-ylidene}methyl sulfate

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID23279472

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Diamino(dimethylamino)methyl (Z)-{(8α,13Z,14α)-14-[2-(3-furyl)ethyl]-8-methylpodocarpan-13-ylidene}methyl sulfate [ACD/IUPAC Name]
diamino(dimethylamino)methyl (Z)-{(8α,13Z,14α)-14-[2-(furan-3-yl)ethyl]-8-methylpodocarpan-13-ylidene}methyl sulfate
Diamino(dimethylamino)methyl-(Z)-{(8α,13Z,14α)-14-[2-(3-furyl)ethyl]-8-methylpodocarpan-13-yliden}methylsulfat [German] [ACD/IUPAC Name]
Sulfate de diamino(diméthylamino)méthyle et de (Z)-{(8α,13Z,14α)-14-[2-(3-furyl)éthyl]-8-méthylpodocarpan-13-ylidène}méthyle [French] [ACD/IUPAC Name]
Sulfuric acid, diamino(dimethylamino)methyl (Z)-[(1R,4aR,4bS,8aS,10aS)-1-[2-(3-furanyl)ethyl]dodecahydro-4b,8,8,10a-tetramethyl-2(1H)-phenanthrenylidene]methyl ester [ACD/Index Name]
CHEMBL374772
diamino(dimethylamino)methyl -((1R,4aS,4bS,8aS,10aS)-1-(2-(furan-3-yl)ethyl)-4b,8,8,10a-tetramethyl-decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL374772/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 609158.69
ACD/KOC (pH 5.5): 425470.13
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 932630.06
ACD/KOC (pH 7.4): 651400.38
Polar Surface Area: 129 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 458.0±3.0 cm3

Click to predict properties on the Chemicalize site


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