ChemSpider 2D Image | Suavissimoside F1 | C36H56O12

Suavissimoside F1

  • Molecular FormulaC36H56O12
  • Average mass680.823 Da
  • Monoisotopic mass680.377197 Da
  • ChemSpider ID10251895

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

1-O-[(2α,3β)-2,3,19,23-Tetrahydroxy-23,28-dioxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19,23-Tetrahydroxy-23,28-dioxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19,23-Tétrahydroxy-23,28-dioxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Suavissimoside F1
Suavissimoside R1
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,19,23-tetrahydroxy-23,28-dioxours-12-en-28-yl]- [ACD/Index Name]
(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
95645-51-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 803.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 244.5±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 76.42
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 214 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 488.5±5.0 cm3

Click to predict properties on the Chemicalize site


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