Found 2 results

Search term: YCALQXWUFWGPAY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | paralemnolin C | C19H28O4

paralemnolin C

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID75320562

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-[(8S,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydro-2-naphthalenyl]-1,2-propanediyl diacetate [ACD/IUPAC Name]
(2R)-2-[(8S,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydro-2-naphthalinyl]-1,2-propandiyl-diacetat [German] [ACD/IUPAC Name]
1,2-Propanediol, 2-[(8S,8aS)-3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2-naphthalenyl]-, diacetate, (2R)- [ACD/Index Name]
Diacétate de (2R)-2-[(8S,8aS)-8,8a-diméthyl-3,4,6,7,8,8a-hexahydro-2-naphtalényl]-1,2-propanediyle [French] [ACD/IUPAC Name]
paralemnolin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 192.8±27.1 °C
Index of Refraction: 1.510
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1999.06
ACD/KOC (pH 5.5): 8022.84
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1999.06
ACD/KOC (pH 7.4): 8022.84
Polar Surface Area: 53 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

Click to predict properties on the Chemicalize site


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