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ChemSpider 2D Image | 5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside | C29H34O15

5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID3044621

More details:

Date of deprecation: 17:08, Sep 14, 2015
Reason for deprecation: Deprecate record: 10 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxyhexopyranosyl)hexopyranoside de 5-hydroxy-6-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
28978-02-1 [RN]
Pectolinarin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.683
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.33
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 223 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 90.1±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

Click to predict properties on the Chemicalize site