ChemSpider 2D Image | (2S,3S)-4-Hydroxy-2,3-bis(4-hydroxy-3,5-dimethoxybenzyl)butyl 6-deoxy-alpha-L-mannopyranoside | C28H40O12

(2S,3S)-4-Hydroxy-2,3-bis(4-hydroxy-3,5-dimethoxybenzyl)butyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID59007101
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S,3S)-4-Hydroxy-2,3-bis(4-hydroxy-3,5-dimethoxybenzyl)butyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(2S,3S)-4-Hydroxy-2,3-bis(4-hydroxy-3,5-dimethoxybenzyl)butyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (2S,3S)-4-hydroxy-2,3-bis(4-hydroxy-3,5-diméthoxybenzyl)butyle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butyl 6-deoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 812.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.3±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 71.77
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 71.50
Polar Surface Area: 177 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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