ChemSpider 2D Image | Proloquatifoligenin I | C33H56O14

Proloquatifoligenin I

  • Molecular FormulaC33H56O14
  • Average mass676.789 Da
  • Monoisotopic mass676.367004 Da
  • ChemSpider ID10258861

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside de (6E)-3,7,11-triméthyl-1,6,10-dodécatrién-3-yle [French] [ACD/IUPAC Name]
Proloquatifoligenin I
β-D-Glucopyranoside, (4E)-1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->6)]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 463.9±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.70
ACD/KOC (pH 5.5): 2331.71
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.70
ACD/KOC (pH 7.4): 2331.68
Polar Surface Area: 217 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 515.9±5.0 cm3

Click to predict properties on the Chemicalize site


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