ChemSpider 2D Image | (3aS,4R,5S,6R,7S,7aS)-N-(Benzyloxy)-6,7-bis(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-5,5'-bi-1,3-benzodioxol-4-amine | C27H35NO9

(3aS,4R,5S,6R,7S,7aS)-N-(Benzyloxy)-6,7-bis(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-5,5'-bi-1,3-benzodioxol-4-amine

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID9039508

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,4R,5S,6R,7S,7aS)-N-(Benzyloxy)-6,7-bis(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-5,5'-bi-1,3-benzodioxol-4-amin [German] [ACD/IUPAC Name]
(3aS,4R,5S,6R,7S,7aS)-N-(Benzyloxy)-6,7-bis(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-5,5'-bi-1,3-benzodioxol-4-amine [ACD/IUPAC Name]
(3aS,4R,5S,6R,7S,7aS)-N-(Benzyloxy)-6,7-bis(méthoxyméthoxy)-2,2-diméthyl-3a,4,5,6,7,7a-hexahydro-5,5'-bi-1,3-benzodioxol-4-amine [French] [ACD/IUPAC Name]
[5,5'-Bi-1,3-benzodioxol]-4-amine, 3a,4,5,6,7,7a-hexahydro-6,7-bis(methoxymethoxy)-2,2-dimethyl-N-(phenylmethoxy)-, (3aS,4R,5S,6R,7S,7aS)- [ACD/Index 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: 585.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 258.3±22.3 °C
Index of Refraction: 1.580
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 815.49
ACD/KOC (pH 5.5): 4222.46
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 815.69
ACD/KOC (pH 7.4): 4223.48
Polar Surface Area: 95 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 402.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement