ChemSpider 2D Image | (1aS,1bS,2S,5aR,6S,6aS)-1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside | C16H24O10

(1aS,1bS,2S,5aR,6S,6aS)-1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside

  • Molecular FormulaC16H24O10
  • Average mass376.356 Da
  • Monoisotopic mass376.136932 Da
  • ChemSpider ID26338775

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aS,1bS,2S,5aR,6S,6aS)-1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1aS,1bS,2S,5aR,6S,6aS)-1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxyméthyl)-6-méthoxy-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl [ACD/Index Name]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
1617-84-1 [RN]
6-O-Methylcatalpol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 621.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.90
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 234.7±5.0 cm3

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