ChemSpider 2D Image | Lactiflorin | C23H26O10

Lactiflorin

  • Molecular FormulaC23H26O10
  • Average mass462.447 Da
  • Monoisotopic mass462.152588 Da
  • ChemSpider ID58827443

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-Dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-10b(1H)-yl]methyl benzoate [ACD/IUPAC Name]
[(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-Dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalin-10b(1H)-yl]methyl-benzoat [German] [ACD/IUPAC Name]
1361049-59-3 [RN]
3aH,5H-3,4,8,9-Tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-1(2H)-one, 10b-[(benzoyloxy)methyl]octahydro-5,6-dihydroxy-7-(hydroxymethyl)-3a-methyl-, (2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)- [ACD/Index Name]
Benzoate de [(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-dihydroxy-7-(hydroxyméthyl)-3a-méthyl-1-oxooctahydro-5H-3,4,8,9-tétraoxacyclobuta[1,6]pentaléno[1,2-b]naphtalén-10b(1H)-yl]méthyle [French] [ACD/IUPAC Name]
Lactiflorin
(+)-lactiflorin
[(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-3aH,5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-10b(1H)-yl]methyl benzoate
88623-95-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 677.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 235.7±25.0 °C
Index of Refraction: 1.657
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.45
ACD/KOC (pH 5.5): 1330.61
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.45
ACD/KOC (pH 7.4): 1330.60
Polar Surface Area: 141 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

Click to predict properties on the Chemicalize site


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