ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(3S)-3,4-dihydroxybutyl]-2,3,4,6-tetrakis-O-(4-methoxybenzyl)-D-glucitol | C42H52O11

(1S)-1,5-Anhydro-1-[(3S)-3,4-dihydroxybutyl]-2,3,4,6-tetrakis-O-(4-methoxybenzyl)-D-glucitol

  • Molecular FormulaC42H52O11
  • Average mass732.856 Da
  • Monoisotopic mass732.350952 Da
  • ChemSpider ID9586463
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1S)-1,5-Anhydro-1-[(3S)-3,4-dihydroxybutyl]-2,3,4,6-tetrakis-O-(4-methoxybenzyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(3S)-3,4-dihydroxybutyl]-2,3,4,6-tetrakis-O-(4-methoxybenzyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(3S)-3,4-dihydroxybutyl]-2,3,4,6-tétrakis-O-(4-méthoxybenzyl)-D-glucitol [French] [ACD/IUPAC Name]
D-erythro-L-galacto-Decitol, 5,9-anhydro-3,4-dideoxy-6,7,8,10-tetrakis-O-[(4-methoxyphenyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 835.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.2±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33069.26
ACD/KOC (pH 5.5): 59784.41
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33069.26
ACD/KOC (pH 7.4): 59784.41
Polar Surface Area: 124 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 590.1±5.0 cm3

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