ChemSpider 2D Image | {(2R,3R,4S,5R)-3-(Benzyloxy)-4,5-dihydroxy-1-[(1R)-1-(1-naphthyl)ethyl]-2-piperidinyl}methyl acetate | C27H31NO5

{(2R,3R,4S,5R)-3-(Benzyloxy)-4,5-dihydroxy-1-[(1R)-1-(1-naphthyl)ethyl]-2-piperidinyl}methyl acetate

  • Molecular FormulaC27H31NO5
  • Average mass449.539 Da
  • Monoisotopic mass449.220215 Da
  • ChemSpider ID30659313

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(2R,3R,4S,5R)-3-(Benzyloxy)-4,5-dihydroxy-1-[(1R)-1-(1-naphthyl)ethyl]-2-piperidinyl}methyl acetate [ACD/IUPAC Name]
{(2R,3R,4S,5R)-3-(Benzyloxy)-4,5-dihydroxy-1-[(1R)-1-(1-naphthyl)ethyl]-2-piperidinyl}methyl-acetat [German] [ACD/IUPAC Name]
3,4-Piperidinediol, 6-[(acetyloxy)methyl]-1-[(1R)-1-(1-naphthalenyl)ethyl]-5-(phenylmethoxy)-, (3R,4S,5R,6R)- [ACD/Index Name]
Acétate de {(2R,3R,4S,5R)-3-(benzyloxy)-4,5-dihydroxy-1-[(1R)-1-(1-naphtyl)éthyl]-2-pipéridinyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 118.68
ACD/KOC (pH 5.5): 612.44
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 767.49
ACD/KOC (pH 7.4): 3960.73
Polar Surface Area: 79 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

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