ChemSpider 2D Image | Benzyl (3R,4S,5R,6R,7R)-3-(allylamino)-4,5,6-tris(benzyloxy)-7,8-dihydroxyoctanoate | C39H45NO7

Benzyl (3R,4S,5R,6R,7R)-3-(allylamino)-4,5,6-tris(benzyloxy)-7,8-dihydroxyoctanoate

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID9529122

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4S,5R,6R,7R)-3-(Allylamino)-4,5,6-tris(benzyloxy)-7,8-dihydroxyoctanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3R,4S,5R,6R,7R)-3-(allylamino)-4,5,6-tris(benzyloxy)-7,8-dihydroxyoctanoate [ACD/IUPAC Name]
Benzyl-(3R,4S,5R,6R,7R)-3-(allylamino)-4,5,6-tris(benzyloxy)-7,8-dihydroxyoctanoat [German] [ACD/IUPAC Name]
D-glycero-D-ido-Octonic acid, 2,3-dideoxy-4,5,6-tris-O-(phenylmethyl)-3-(2-propen-1-ylamino)-, phenylmethyl ester [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: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 4187.16
ACD/KOC (pH 5.5): 4801.23
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 109723.20
ACD/KOC (pH 7.4): 125814.72
Polar Surface Area: 106 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 542.3±3.0 cm3

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