ChemSpider 2D Image | Nhdc | C28H36O15

Nhdc

  • Molecular FormulaC28H36O15
  • Average mass612.576 Da
  • Monoisotopic mass612.205444 Da
  • ChemSpider ID16498827
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

1-(4-{[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-2-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanon
1-(4-{[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-2-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
1-(4-{[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-méthyl-2-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyran-3-yl]oxy}-2,6-dihydroxyphényl)-3-(3-hydroxy-4-méthoxyphényl)-1-propanone
2-O-(6-deoxy-2-O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl}-a-L-mannopyranosyl)-b-D-glucopyranose
2-O-(6-Deoxy-2-O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl}-α-L-mannopyranosyl)-β-D-glucopyranose [ACD/IUPAC Name]
2-O-(6-Desoxy-2-O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl}-α-L-mannopyranosyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-2-O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)propanoyl]phényl}-α-L-mannopyranosyl)-β-D-glucopyranose
2-O-(6-Désoxy-2-O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)propanoyl]phényl}-α-L-mannopyranosyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
b-D-glucopyranose, 2-O-[6-deoxy-2-O-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenyl]-a-L-mannopyranosyl]-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI-C60764 [DBID]
CCRIS 4848 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 943.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 308.2±27.8 °C
Index of Refraction: 1.684
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 90.10
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 33.47
Polar Surface Area: 245 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 378.8±5.0 cm3

Click to predict properties on the Chemicalize site






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