ChemSpider 2D Image | phyllanthostatin A | C29H30O13

phyllanthostatin A

  • Molecular FormulaC29H30O13
  • Average mass586.541 Da
  • Monoisotopic mass586.168640 Da
  • ChemSpider ID114270

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

119767-19-0 [RN]
1-O-[3-(Acetoxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthoyl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[3-(Acetoxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[3-(Acétoxyméthyl)-1-(1,3-benzodioxol-5-yl)-6,7-diméthoxy-2-naphtoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate]
phyllanthostatin A
β-D-Glucopyranose, 1-(3-((acetyloxy)methyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate)
β-D-Glucopyranose, 1-O-[[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenyl]carbonyl]- [ACD/Index Name]
1-O-({3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxynaphthalen-2-yl}carbonyl)-β-D-glucopyranose
b-D-Glucopyranose,1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate]
More...

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

C10870 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 786.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 257.7±26.4 °C
Index of Refraction: 1.675
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.83
ACD/KOC (pH 5.5): 346.88
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.83
ACD/KOC (pH 7.4): 346.87
Polar Surface Area: 180 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

Click to predict properties on the Chemicalize site


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