Found 1 result

Search term: 78440329 (Found by CSID)
ChemSpider 2D Image | (6S,8S)-6,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C28H36O16

(6S,8S)-6,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC28H36O16
  • Average mass628.576 Da
  • Monoisotopic mass628.200317 Da
  • ChemSpider ID78440329

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(6S,8S)-6,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(6S,8S)-6,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (6S,8S)-6,8-dihydroxy-3-méthoxy-6-méthyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 8-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,2,3,4-tetrahydro-1,3-dihydroxy-6-methoxy-3-methyl-, (1S,3S)- [ACD/Index Name]
(1S,3S)-austrocortilutein 8-O-β-D-gentiobioside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1006.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.8±3.0 kJ/mol
Flash Point: 328.8±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 262 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 102.6±5.0 dyne/cm
Molar Volume: 371.1±5.0 cm3

Click to predict properties on the Chemicalize site


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