Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | 1-Adamantan-1-yl 3,4-diethyl (3R,4S)-3-benzyl-4-isobutyl-1,3,4-pyrrolidinetricarboxylate | C32H45NO6

1-Adamantan-1-yl 3,4-diethyl (3R,4S)-3-benzyl-4-isobutyl-1,3,4-pyrrolidinetricarboxylate

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID9937952

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(3R,4S)-3-Benzyl-4-isobutyl-1,3,4-pyrrolidinetricarboxylate de 1-adamantan-1-yle et de 3,4-diéthyle [French] [ACD/IUPAC Name]
1,3,4-Pyrrolidinetricarboxylic acid, 3-(2-methylpropyl)-4-(phenylmethyl)-, 3,4-diethyl 1-tricyclo[3.3.1.13,7]dec-1-yl ester, (3S,4R)- [ACD/Index Name]
1-Adamantan-1-yl 3,4-diethyl (3R,4S)-3-benzyl-4-isobutyl-1,3,4-pyrrolidinetricarboxylate [ACD/IUPAC Name]
1-Adamantan-1-yl-3,4-diethyl-(3R,4S)-3-benzyl-4-isobutyl-1,3,4-pyrrolidintricarboxylat [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: 607.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.9±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 233950.22
ACD/KOC (pH 5.5): 242545.80
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 233950.22
ACD/KOC (pH 7.4): 242545.80
Polar Surface Area: 82 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 456.5±5.0 cm3

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