ChemSpider 2D Image | Schidigerasaponin C2 | C39H62O14

Schidigerasaponin C2

  • Molecular FormulaC39H62O14
  • Average mass754.901 Da
  • Monoisotopic mass754.413940 Da
  • ChemSpider ID9018085

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(2β,3β,5β)-2-Hydroxyspirost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside
(2β,3β,5β)-2-Hydroxyspirost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(2β,3β,5β)-2-Hydroxyspirost-25(27)-en-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
266997-36-8 [RN]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (2β,3β,5β)-2-hydroxyspirost-25(27)-én-3-yle [French] [ACD/IUPAC Name]
Schidigerasaponin C2
β-D-Galactopyranoside, (2β,3β,5β)-2-hydroxyspirost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 495.9±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 188.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.80
ACD/KOC (pH 5.5): 284.19
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.80
ACD/KOC (pH 7.4): 284.19
Polar Surface Area: 217 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 534.7±5.0 cm3

Click to predict properties on the Chemicalize site


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