ChemSpider 2D Image | juncin U | C34H46O15

juncin U

  • Molecular FormulaC34H46O15
  • Average mass694.720 Da
  • Monoisotopic mass694.283691 Da
  • ChemSpider ID10481429

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3aS,4E,6Z,8S,8aS,9R,10R,11R,12R,12aS,13S,13aS)-8,9,11,13-Tetraacetoxy-13a-hydroxy-5-(methoxymethyl)-1,8a-dimethyl-2-oxo-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]fu ran-12,2'-oxiran]-10-yl pentanoate [ACD/IUPAC Name]
juncin U
Pentanoic acid, (1R,3aS,4E,6Z,8S,8aS,9R,10R,11R,12R,12aS,13S,13aS)-8,9,11,13-tetrakis(acetyloxy)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-5-(methoxymethyl)-1,8a-dimethyl-2-oxospiro[benzo[4,5 ]cyclodeca[1,2-b]furan-12(2H),2'-oxiran]-10-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 208.8±26.4 °C
Index of Refraction: 1.547
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.00
ACD/KOC (pH 5.5): 387.61
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.00
ACD/KOC (pH 7.4): 387.56
Polar Surface Area: 200 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 526.4±5.0 cm3

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