ChemSpider 2D Image | (1R,2S,3R,5R,6R,8S)-6-Hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-3-yl beta-D-glucopyranoside | C16H24O10

(1R,2S,3R,5R,6R,8S)-6-Hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-3-yl β-D-glucopyranoside

  • Molecular FormulaC16H24O10
  • Average mass376.356 Da
  • Monoisotopic mass376.136932 Da
  • ChemSpider ID28645879

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3R,5R,6R,8S)-6-Hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3R,5R,6R,8S)-6-Hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1R,2S,3R,5R,6R,8S)-6-hydroxy-2-(hydroxyméthyl)-8-méthyl-9,10-dioxatétracyclo[4.3.1.02,5.03,8]déc-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-(hydroxymethyl)-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[[(1R,2S,3R,5R,6R,8S)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
23532-11-8 [RN]
8-Debenzoylpaeoniflorin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 158 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 102.1±5.0 dyne/cm
Molar Volume: 213.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement