ChemSpider 2D Image | (3S,4S)-3,4-Pyrrolidinediyl bis(1-naphthylacetate) | C28H25NO4

(3S,4S)-3,4-Pyrrolidinediyl bis(1-naphthylacetate)

  • Molecular FormulaC28H25NO4
  • Average mass439.502 Da
  • Monoisotopic mass439.178345 Da
  • ChemSpider ID35034350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3,4-Pyrrolidindiyl-bis(1-naphthylacetat) [German] [ACD/IUPAC Name]
(3S,4S)-3,4-Pyrrolidinediyl bis(1-naphthylacetate) [ACD/IUPAC Name]
(3s,4s)-Pyrrolidine-3,4-Diyl Bis(Naphthalen-1-Ylacetate)
1-Naphthaleneacetic acid, (3S,4S)-3,4-pyrrolidinediyl ester [ACD/Index Name]
Bis(1-naphtylacétate) de (3S,4S)-3,4-pyrrolidinediyle [French] [ACD/IUPAC Name]
S47

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 623.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 205.92
ACD/KOC (pH 5.5): 527.13
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6063.57
ACD/KOC (pH 7.4): 15522.23
Polar Surface Area: 65 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 342.9±5.0 cm3

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