ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(2-{4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)-D-glucitol | C27H30O14

(1S)-1,5-Anhydro-1-(2-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)-D-glucitol

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID4590019
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S)-1,5-Anhydro-1-(2-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-{4-[(6-desoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]phényl}-5,7-dihydroxy-4-oxo-4H-chromén-8-yl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
2-(4-((6-Deoxy-α-L-mannopyranosyl)oxy)phenyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-4H-benzopyran-4-one
251-036-0 [EINECS]
32426-34-9 [RN]
5,7-DIHYDROXY-8-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-2-(4-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}PHENYL)CHROMEN-4-ONE
Vitexin rhamnoside
Vitexin-4'-Rhamnoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 296.2±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.89
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 96.0±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site






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