ChemSpider 2D Image | (2R,3R,4R,5S)-4-{[5-(Adamantan-1-ylmethoxy)pentyl]oxy}-3,5-bis(benzyloxy)-2-[(benzyloxy)methyl]piperidine | C43H57NO5

(2R,3R,4R,5S)-4-{[5-(Adamantan-1-ylmethoxy)pentyl]oxy}-3,5-bis(benzyloxy)-2-[(benzyloxy)methyl]piperidine

  • Molecular FormulaC43H57NO5
  • Average mass667.916 Da
  • Monoisotopic mass667.423645 Da
  • ChemSpider ID17264525

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5S)-4-{[5-(Adamantan-1-ylmethoxy)pentyl]oxy}-3,5-bis(benzyloxy)-2-[(benzyloxy)methyl]piperidin [German] [ACD/IUPAC Name]
(2R,3R,4R,5S)-4-{[5-(Adamantan-1-ylmethoxy)pentyl]oxy}-3,5-bis(benzyloxy)-2-[(benzyloxy)methyl]piperidine [ACD/IUPAC Name]
(2R,3R,4R,5S)-4-{[5-(Adamantan-1-ylméthoxy)pentyl]oxy}-3,5-bis(benzyloxy)-2-[(benzyloxy)méthyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 3,5-bis(phenylmethoxy)-2-[(phenylmethoxy)methyl]-4-[[5-(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)pentyl]oxy]-, (2R,3R,4R,5S)- [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: 732.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 334.7±22.3 °C
Index of Refraction: 1.591
Molar Refractivity: 196.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.12
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 149808.72
ACD/KOC (pH 5.5): 65406.14
ACD/LogD (pH 7.4): 8.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1519002.88
Polar Surface Area: 58 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 580.3±5.0 cm3

Click to predict properties on the Chemicalize site


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