Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | (3S)-3-{(2R,3R)-1-[(Benzyloxy)carbonyl]-3-[(1S)-1-(2,4,6-triisopropylphenyl)ethoxy]-2-pyrrolidinyl}-3-hydroxypropanoic acid | C32H45NO6

(3S)-3-{(2R,3R)-1-[(Benzyloxy)carbonyl]-3-[(1S)-1-(2,4,6-triisopropylphenyl)ethoxy]-2-pyrrolidinyl}-3-hydroxypropanoic acid

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID9424726

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-3-{(2R,3R)-1-[(Benzyloxy)carbonyl]-3-[(1S)-1-(2,4,6-triisopropylphenyl)ethoxy]-2-pyrrolidinyl}-3-hydroxypropanoic acid [ACD/IUPAC Name]
(3S)-3-{(2R,3R)-1-[(Benzyloxy)carbonyl]-3-[(1S)-1-(2,4,6-triisopropylphenyl)ethoxy]-2-pyrrolidinyl}-3-hydroxypropansäure [German] [ACD/IUPAC Name]
2-Pyrrolidinepropanoic acid, β-hydroxy-1-[(phenylmethoxy)carbonyl]-3-[(1S)-1-[2,4,6-tris(1-methylethyl)phenyl]ethoxy]-, (βS,2R,3R)- [ACD/Index Name]
Acide (3S)-3-{(2R,3R)-1-[(benzyloxy)carbonyl]-3-[(1S)-1-(2,4,6-triisopropylphényl)éthoxy]-2-pyrrolidinyl}-3-hydroxypropanoïque [French] [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: 636.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 1487.07
ACD/KOC (pH 5.5): 2731.83
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 25.13
ACD/KOC (pH 7.4): 46.16
Polar Surface Area: 96 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 465.7±5.0 cm3

Click to predict properties on the Chemicalize site


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