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Search term: CYHDBBLSPZEMQZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | {2,5,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-7-yl}methyl beta-D-glucopyranoside | C35H60O7

{2,5,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-7-yl}methyl β-D-glucopyranoside

  • Molecular FormulaC35H60O7
  • Average mass592.847 Da
  • Monoisotopic mass592.433899 Da
  • ChemSpider ID8027205
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

{2,5,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-7-yl}methyl β-D-glucopyranoside [ACD/IUPAC Name]
{2,5,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-7-yl}methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de {2,5,8-triméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-7-yl}méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-7-yl]methyl [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 299786.03
ACD/KOC (pH 5.5): 289651.28
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 299784.06
ACD/KOC (pH 7.4): 289649.38
Polar Surface Area: 109 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 534.4±5.0 cm3

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