Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | (3S)-3-{(3aS,4R,6R,6aR)-5-Benzyl-2,2-dimethyl-6-[(trityloxy)methyl]tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl}-3-(methoxymethoxy)-1-propanol | C39H45NO6

(3S)-3-{(3aS,4R,6R,6aR)-5-Benzyl-2,2-dimethyl-6-[(trityloxy)methyl]tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl}-3-(methoxymethoxy)-1-propanol

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID74105992

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-3-{(3aS,4R,6R,6aR)-5-Benzyl-2,2-dimethyl-6-[(trityloxy)methyl]tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl}-3-(methoxymethoxy)-1-propanol [German] [ACD/IUPAC Name]
(3S)-3-{(3aS,4R,6R,6aR)-5-Benzyl-2,2-dimethyl-6-[(trityloxy)methyl]tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl}-3-(methoxymethoxy)-1-propanol [ACD/IUPAC Name]
(3S)-3-{(3aS,4R,6R,6aR)-5-Benzyl-2,2-diméthyl-6-[(trityloxy)méthyl]tétrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl}-3-(méthoxyméthoxy)-1-propanol [French] [ACD/IUPAC Name]
4H-1,3-Dioxolo[4,5-c]pyrrole-4-propanol, tetrahydro-γ-(methoxymethoxy)-2,2-dimethyl-5-(phenylmethyl)-6-[(triphenylmethoxy)methyl]-, (γS,3aS,4R,6R,6aR)- [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: 695.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 56206.42
ACD/KOC (pH 5.5): 60881.37
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 194234.88
ACD/KOC (pH 7.4): 210390.30
Polar Surface Area: 70 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 539.8±3.0 cm3

Click to predict properties on the Chemicalize site


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