ChemSpider 2D Image | Tenuifoliside A | C31H38O17

Tenuifoliside A

  • Molecular FormulaC31H38O17
  • Average mass682.623 Da
  • Monoisotopic mass682.210876 Da
  • ChemSpider ID29814315

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

139726-35-5 [RN]
3-O-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 6-O-(4-hydroxybenzoyl)-α-D-glucopyranoside [ACD/IUPAC Name]
3-O-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-6-O-(4-hydroxybenzoyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Hydroxybenzoyl)-α-D-glucopyranoside de 3-O-[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
Tenuifoliside A
α-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-β-D-fructofuranosyl, 6-(4-hydroxybenzoate) [ACD/Index Name]
[139726-35-5] [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4521296/

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

S36S8L9Y70 [DBID]
UNII:S36S8L9Y70 [DBID]
UNII-S36S8L9Y70 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 917.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.648
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.14
ACD/KOC (pH 5.5): 207.65
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.23
ACD/KOC (pH 7.4): 175.03
Polar Surface Area: 250 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement