ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-[(Adamantan-1-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C36H50N2O7

(3R,4S,4aS,9bS)-3-[(Adamantan-1-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC36H50N2O7
  • Average mass622.791 Da
  • Monoisotopic mass622.361816 Da
  • ChemSpider ID5152165

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-3-[(Adamantan-1-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-[(Adamantan-1-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-[(Adamantan-1-ylméthyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyéthyl)-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[(1-oxooctyl)(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003227

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.6±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7291.23
ACD/KOC (pH 5.5): 20257.41
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7291.20
ACD/KOC (pH 7.4): 20257.34
Polar Surface Area: 125 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


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