ChemSpider 2D Image | Rosiridin | C16H28O7

Rosiridin

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID28290930

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E,4S)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E,4S)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
100462-37-1 [RN]
Rosiridin
β-D-Glucopyranoside de (2E,4S)-4-hydroxy-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadien-1-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-(((S,E)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MFCD27976783

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

71AL4K0H19 [DBID]
UNII:71AL4K0H19 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.12
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.12
Polar Surface Area: 120 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 263.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement