ChemSpider 2D Image | Haemocorin | C32H34O14

Haemocorin

  • Molecular FormulaC32H34O14
  • Average mass642.604 Da
  • Monoisotopic mass642.194885 Da
  • ChemSpider ID145391

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

11034-94-9 [RN]
1H-Phenalen-1-one, 2-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-6-hydroxy-5-methoxy-9-phenyl- [ACD/Index Name]
2-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-6-hydroxy-5-methoxy-9-phenyl-1H-phenalen-1-one
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 6-hydroxy-5-méthoxy-1-oxo-9-phényl-1H-phénalén-2-yle [French] [ACD/IUPAC Name]
6-Hydroxy-5-methoxy-1-oxo-9-phenyl-1H-phenalen-2-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-Hydroxy-5-methoxy-1-oxo-9-phenyl-1H-phenalen-2-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Haemocorin
20559-12-0 [RN]
33404-39-6 [RN]
6-HYDROXY-5-METHOXY-1-OXO-9-PHENYL-1H-PHENALEN-2-YL 4-O-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09932 [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: 997.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.3±3.0 kJ/mol
Flash Point: 322.9±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.26
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.88
Polar Surface Area: 225 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 388.8±5.0 cm3

Click to predict properties on the Chemicalize site


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