ChemSpider 2D Image | (2R)-5-Hydroxy-2-[4-(beta-D-mannopyranosyloxy)phenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-talopyranosyl)-beta-D-galactopyranoside | C33H42O19

(2R)-5-Hydroxy-2-[4-(β-D-mannopyranosyloxy)phenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID127384371

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2R)-5-Hydroxy-2-[4-(β-D-mannopyranosyloxy)phenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
(2R)-5-Hydroxy-2-[4-(β-D-mannopyranosyloxy)phenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-α-L-talopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-[4-(β-D-mannopyranosyloxy)phenyl]-, (2R)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-talopyranosyl)-β-D-galactopyranoside de (2R)-5-hydroxy-2-[4-(β-D-mannopyranosyloxy)phényl]-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2R)-5-Hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
17257-22-6 [RN]
Compound NP-003828

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1072.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.8±3.0 kJ/mol
Flash Point: 337.7±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.18
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 304 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 109.5±5.0 dyne/cm
Molar Volume: 431.5±5.0 cm3

Click to predict properties on the Chemicalize site


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