Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,4S)-3,4-bis(benzyloxy)-2,2-bis[(benzyloxy)methyl]-1-pyrrolidinecarboxylate | C39H45NO6

2-Methyl-2-propanyl (3R,4S)-3,4-bis(benzyloxy)-2,2-bis[(benzyloxy)methyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID9909531

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3,4-Bis(benzyloxy)-2,2-bis[(benzyloxy)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3,4-bis(phenylmethoxy)-2,2-bis[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (3R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4S)-3,4-bis(benzyloxy)-2,2-bis[(benzyloxy)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4S)-3,4-bis(benzyloxy)-2,2-bis[(benzyloxy)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC 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: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 181.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 708586.44
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 708586.44
Polar Surface Area: 66 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 527.3±5.0 cm3

Click to predict properties on the Chemicalize site


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