ChemSpider 2D Image | Buxalongifolamidine | C35H50N2O5

Buxalongifolamidine

  • Molecular FormulaC35H50N2O5
  • Average mass578.782 Da
  • Monoisotopic mass578.371948 Da
  • ChemSpider ID26389585
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3S,4S,5S,10R,16α,20S)-3-(Benzoylamino)-20-(dimethylamino)-10-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclo-9,10-secopregna-1,9(11)-dien-16-yl acetate [ACD/IUPAC Name]
(3S,4S,5S,10R,16α,20S)-3-(Benzoylamino)-20-(dimethylamino)-10-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclo-9,10-secopregna-1,9(11)-dien-16-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,4S,5S,10R,16α,20S)-3-(benzoylamino)-20-(diméthylamino)-10-hydroxy-4-(hydroxyméthyl)-4,14-diméthyl-9,19-cyclo-9,10-sécoprégna-1,9(11)-dién-16-yle [French] [ACD/IUPAC Name]
Benzamide, N-[(2R,3S,3aR,6aR,9S,10S,10aS,12aR,12bS)-2-(acetyloxy)-3-[(1S)-1-(dimethylamino)ethyl]-1,2,3,3a,4,6,6a,9,10,10a,11,12,12a,12b-tetradecahydro-6a-hydroxy-10-(hydroxymethyl)-3a,10,12b-trimethy lbenzo[4,5]cyclohept[1,2-e]inden-9-yl]- [ACD/Index Name]
Buxalongifolamidine
149472-47-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 704.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 9.13
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 21.71
ACD/KOC (pH 7.4): 78.68
Polar Surface Area: 99 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 486.0±5.0 cm3

Click to predict properties on the Chemicalize site






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