ChemSpider 2D Image | 4-Allyl-2-methoxyphenyl 6-O-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-mannopyranoside | C21H30O11

4-Allyl-2-methoxyphenyl 6-O-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-mannopyranoside

  • Molecular FormulaC21H30O11
  • Average mass458.456 Da
  • Monoisotopic mass458.178802 Da
  • ChemSpider ID127384272

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4-Allyl-2-methoxyphenyl 6-O-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-mannopyranoside [ACD/IUPAC Name]
4-Allyl-2-methoxyphenyl-6-O-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-mannopyranoside de 4-allyl-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, 2-methoxy-4-(2-propen-1-yl)phenyl 6-O-[(2R,3S,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
136083-96-0 [RN]
2-Methoxy-4-allylphenyl 6-O-D-apio-β-D-furanosyl-β-D-glucopyranoside
Compound NP-019053

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

Density: 1.5±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.99
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.99
Polar Surface Area: 168 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 311.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement