ChemSpider 2D Image | (3beta,5beta,14beta,17beta)-14-Amino-3-({(3S,5S)-4-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-methylcyclohexyl}oxy)-N-methylandrostane-17-carboxamide | C34H58N2O7

(3β,5β,14β,17β)-14-Amino-3-({(3S,5S)-4-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-methylcyclohexyl}oxy)-N-methylandrostane-17-carboxamide

  • Molecular FormulaC34H58N2O7
  • Average mass606.833 Da
  • Monoisotopic mass606.424377 Da
  • ChemSpider ID7984719

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3β,5β,14β,17β)-14-Amino-3-({(3S,5S)-4-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-methylcyclohexyl}oxy)-N-methylandrostane-17-carboxamide [ACD/IUPAC Name]
(3β,5β,14β,17β)-14-Amino-3-({(3S,5S)-4-[(2,6-didesoxy-β-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-methylcyclohexyl}oxy)-N-methylandrostan-17-carboxamid [German] [ACD/IUPAC Name]
(3β,5β,14β,17β)-14-Amino-3-({(3S,5S)-4-[(2,6-didésoxy-β-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-méthylcyclohexyl}oxy)-N-méthylandrostane-17-carboxamide [French] [ACD/IUPAC Name]
Androstane-17-carboxamide, 14-amino-3-[[(3S,5S)-4-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-3-hydroxy-5-methylcyclohexyl]oxy]-N-methyl-, (3β,5β,14β,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 497.4±5.0 cm3

Click to predict properties on the Chemicalize site


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