ChemSpider 2D Image | 2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(1,2,3,4,5-pentahydroxy-6,20-dimethyl-8,10,14,16-heneicosatetraenyl)- | C27H44O9

2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(1,2,3,4,5-pentahydroxy-6,20-dimethyl-8,10,14,16-heneicosatetraenyl)-

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID4943881

  • Double-bond stereo - Double-bond stereo

More details:

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

2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(1,2,3,4,5-pentahydroxy-6,20-dimethyl-8,10,14,16-heneicosatetraenyl)-
3,4-Dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-dimethyl-8,10,14,16-henicosatetraen-1-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-dimethyl-8,10,14,16-henicosatetraen-1-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-diméthyl-8,10,14,16-hénicosatétraén-1-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
145144-33-8 [RN]
3,4-DIHYDROXY-5-[(8E,10E,14E,16E)-1,2,3,4,5-PENTAHYDROXY-6,20-DIMETHYLHENICOSA-8,10,14,16-TETRAEN-1-YL]OXOLAN-2-ONE
Butyrolactol B
Butyrolactol-B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 240.8±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.61
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.61
Polar Surface Area: 168 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

Click to predict properties on the Chemicalize site


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