Found 13 results

Search term: MF = 'C_{21}H_{32}O_{14}'
ChemSpider 2D Image | 1-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid | C21H32O14

1-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

  • Molecular FormulaC21H32O14
  • Average mass508.470 Da
  • Monoisotopic mass508.179199 Da
  • ChemSpider ID20479178

More details:

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

1-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonsäure [German] [ACD/IUPAC Name]
1-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [ACD/IUPAC Name]
1-[6-(3,4-Dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy]-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-4-carboxylic acid
Acide 1-({6-O-[3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]hexopyranosyl}oxy)-7-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[[6-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 807.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 277.2±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 96.1±5.0 dyne/cm
Molar Volume: 304.2±5.0 cm3

Click to predict properties on the Chemicalize site


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