ChemSpider 2D Image | 7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1~8,11~.0~4,9~.0~10,15~]tricosa-4,10,12,14-tetraen-19-yl 3,4,5-trihydroxybenzoate | C27H22O19

7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC27H22O19
  • Average mass650.452 Da
  • Monoisotopic mass650.075500 Da
  • ChemSpider ID3523522

More details:






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

3,3,3a,5,6,17-hexahydroxy-13-(hydroxymethyl)-2,8,16-trioxo-2,3,3a,8,10,11,13,14,16,16b-decahydro-10,14-methano[1]benzofuro[4,3,2-jkl][2,5,8]benzotrioxacyclotridecin-11-yl 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoate de 7,7,8,12,13,22-hexahydroxy-21-(hydroxyméthyl)-3,6,16-trioxo-2,17,20,23-tétraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tétraén-19-yle [French] [ACD/IUPAC Name]
7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
benzoic acid, 3,4,5-trihydroxy-, 2,3,3a,8,10,11,13,14,16,16b-decahydro-3,3,3a,5,6,17-hexahydroxy-13-(hydroxymethyl)-2,8,16-trioxo-10,14-methanobenzofuro[4,3,2-jkl][2,5,8]benzotrioxacyclotridecin-11-yl ester
Benzoic acid, 3,4,5-trihydroxy-, 2,3,3a,8,10,11,13,14,16,16b-decahydro-3,3,3a,5,6,17-hexahydroxy-13-(hydroxymethyl)-2,8,16-trioxo-10,14-methanobenzofuro[4,3,2-jkl][2,5,8]benzotrioxacyclotridecin-11-yl ester [ACD/Index Name]
7,7,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl 3,4,5-trihydroxybenzoate
7,7,8,12,13,22-hexahydroxy-21-hydroxymethyl-3,6,16-trioxo-19-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraene

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1146.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 177.1±3.0 kJ/mol
Flash Point: 378.3±27.8 °C
Index of Refraction: 1.862
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.19
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 317 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 176.4±5.0 dyne/cm
Molar Volume: 303.1±5.0 cm3

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