ChemSpider 2D Image | 3-(4-Biphenylyl)-2-propyn-1-yl alpha-D-mannopyranoside | C21H22O6

3-(4-Biphenylyl)-2-propyn-1-yl α-D-mannopyranoside

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID35035948
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2r,3s,4s,5s,6s)-2-(Hydroxymethyl)-6-[3-(4-Phenylphenyl)prop-2-Ynoxy]oxane-3,4,5-Triol
3-(4-Biphenylyl)-2-propin-1-yl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
3-(4-Biphenylyl)-2-propyn-1-yl α-D-mannopyranoside [ACD/IUPAC Name]
α-D-Mannopyranoside de 3-(4-biphénylyl)-2-propyn-1-yle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 3-[1,1'-biphenyl]-4-yl-2-propyn-1-yl [ACD/Index Name]
FYZ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 607.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.4±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.90
ACD/KOC (pH 5.5): 306.60
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.90
ACD/KOC (pH 7.4): 306.60
Polar Surface Area: 99 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 266.1±5.0 cm3

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