ChemSpider 2D Image | Methyl (1R,2S,3R)-2,2',3,8-tetrahydroxy-5,5'-dimethoxy-3,3',7,7'-tetramethyl-2,3-dihydrospiro[cyclopenta[a]naphthalene-1,9'-phenanthro[2,3-d][1,3]dioxole]-2-carboxylate | C35H32O10

Methyl (1R,2S,3R)-2,2',3,8-tetrahydroxy-5,5'-dimethoxy-3,3',7,7'-tetramethyl-2,3-dihydrospiro[cyclopenta[a]naphthalene-1,9'-phenanthro[2,3-d][1,3]dioxole]-2-carboxylate

  • Molecular FormulaC35H32O10
  • Average mass612.623 Da
  • Monoisotopic mass612.199524 Da
  • ChemSpider ID28527998

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methyl (1R,2S,3R)-2,2',3,8-tetrahydroxy-5,5'-dimethoxy-3,3',7,7'-tetramethyl-2,3-dihydrospiro[cyclopenta[a]naphthalene-1,9'-phenanthro[2,3-d][1,3]dioxole]-2-carboxylate [ACD/IUPAC Name]
Spiro[1H-benz[e]indene-1,9'-phenanthro[2,3-d][1,3]dioxole]-2-carboxylic acid, 2,3-dihydro-2,2',3,8-tetrahydroxy-5,5'-dimethoxy-3,3',7,7'-tetramethyl-, methyl ester, (1R,2S,3R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 869.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 280.9±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11714.65
ACD/KOC (pH 5.5): 28442.02
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11529.91
ACD/KOC (pH 7.4): 27993.47
Polar Surface Area: 144 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement