Found 1 result

Search term: 59696261 (Found by CSID)
ChemSpider 2D Image | 2-[(1R,8R,9S,13S)-8-Hydroxy-12-methylene-3-oxo-2,14-dioxatetracyclo[6.5.2.0~1,5~.0~9,13~]pentadeca-4,6-dien-4-yl]ethyl beta-D-glucopyranoside | C22H28O10

2-[(1R,8R,9S,13S)-8-Hydroxy-12-methylene-3-oxo-2,14-dioxatetracyclo[6.5.2.01,5.09,13]pentadeca-4,6-dien-4-yl]ethyl β-D-glucopyranoside

  • Molecular FormulaC22H28O10
  • Average mass452.452 Da
  • Monoisotopic mass452.168243 Da
  • ChemSpider ID59696261

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-[(1R,8R,9S,13S)-8-Hydroxy-12-methylen-3-oxo-2,14-dioxatetracyclo[6.5.2.01,5.09,13]pentadeca-4,6-dien-4-yl]ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-[(1R,8R,9S,13S)-8-Hydroxy-12-methylene-3-oxo-2,14-dioxatetracyclo[6.5.2.01,5.09,13]pentadeca-4,6-dien-4-yl]ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2H-9b,6-(Epoxymethano)azuleno[4,5-b]furan-2-one, 3-[2-(β-D-glucopyranosyloxy)ethyl]-6,6a,7,8,9,9a-hexahydro-6-hydroxy-9-methylene-, (6R,6aS,9aS,9bR)- [ACD/Index Name]
β-D-Glucopyranoside de 2-[(1R,8R,9S,13S)-8-hydroxy-12-méthylène-3-oxo-2,14-dioxatétracyclo[6.5.2.01,5.09,13]pentadéca-4,6-dién-4-yl]éthyle [French] [ACD/IUPAC Name]
(1R,8R,9S,13S)-8-hydroxy-12-methylidene-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,14-dioxatetracyclo[6.5.2.01,5.09,13]pentadeca-4,6-dien-3-one
1086489-84-0 [RN]
Cichorioside J

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

Density: 1.6±0.1 g/cm3
Boiling Point: 794.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±6.0 kJ/mol
Flash Point: 278.2±26.4 °C
Index of Refraction: 1.661
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.25
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.06
Polar Surface Area: 155 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 290.3±5.0 cm3

Click to predict properties on the Chemicalize site


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