Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | 12-(2-Hydroxy-3-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}propoxy)abieta-8(14),9(11),12-trien-7-one | C37H47NO4

12-(2-Hydroxy-3-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}propoxy)abieta-8(14),9(11),12-trien-7-one

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID17252141

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

12-(2-Hydroxy-3-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}propoxy)abieta-8(14),9(11),12-trien-7-on [German] [ACD/IUPAC Name]
12-(2-Hydroxy-3-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}propoxy)abieta-8(14),9(11),12-trien-7-one [ACD/IUPAC Name]
12-(2-Hydroxy-3-{[(1R,2S)-2-hydroxy-1,2-diphényléthyl]amino}propoxy)abiéta-8(14),9(11),12-trién-7-one [French] [ACD/IUPAC Name]
9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-[2-hydroxy-3-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]propoxy]-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,10aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.6±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 4146.87
ACD/KOC (pH 5.5): 3574.06
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 181316.42
ACD/KOC (pH 7.4): 156270.92
Polar Surface Area: 79 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 505.1±3.0 cm3

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