Found 1 result

Search term: ZIHPFKVTWNZDPH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,4aS,6aS,12bR,14aS,14bR)-N-[2-(Diethylamino)ethyl]-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide | C35H52N2O3

(2R,4aS,6aS,12bR,14aS,14bR)-N-[2-(Diethylamino)ethyl]-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID76770035

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4aS,6aS,12bR,14aS,14bR)-N-[2-(Diethylamino)ethyl]-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picencarboxamid [German] [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-N-[2-(Diethylamino)ethyl]-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-N-[2-(Diéthylamino)éthyl]-10-hydroxy-2,4a,6a,9,12b,14a-hexaméthyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tétradécahydro-2-picènecarboxamide [French] [ACD/IUPAC Name]
2-Picenecarboxamide, N-[2-(diethylamino)ethyl]-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)- [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: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.8±6.0 kJ/mol
Flash Point: 391.7±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 160.30
ACD/KOC (pH 5.5): 183.87
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 2349.71
ACD/KOC (pH 7.4): 2695.22
Polar Surface Area: 70 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 485.6±5.0 cm3

Click to predict properties on the Chemicalize site


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