ChemSpider 2D Image | Rubian | C25H26O13

Rubian

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID83150

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

152-84-1 [RN]
1-Hydroxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-9,10-anthracenedione
1-Hydroxy-2-anthraquinonyl 6-O-b-D-Xylopyranosyl-b-D-glucopyranoside
1-Hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
1-Hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1-Hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
205-808-9 [EINECS]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 1-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-hydroxy-2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
b-2-Alizarin Primeveroside
More...

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

4360A2Y7JD [DBID]
BRN 0071586 [DBID]
CCRIS 4531 [DBID]
UNII:4360A2Y7JD [DBID]
UNII-4360A2Y7JD [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 294.0±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.27
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 213 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


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