ChemSpider 2D Image | (8xi,9xi,10xi,13xi,16xi,22xi)-Spirostan-3-yl 4-O-beta-D-ribopyranosyl-beta-D-allopyranoside | C38H62O12

(8ξ,9ξ,10ξ,13ξ,16ξ,22ξ)-Spirostan-3-yl 4-O-β-D-ribopyranosyl-β-D-allopyranoside

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID4885074

  • defined stereocentres - 12 of 21 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,16ξ,22ξ)-Spirostan-3-yl 4-O-β-D-ribopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,16ξ,22ξ)-Spirostan-3-yl-4-O-β-D-ribopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Ribopyranosyl-β-D-allopyranoside de (8ξ,9ξ,10ξ,13ξ,16ξ,22ξ)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (8ξ,9ξ,10ξ,13ξ,16ξ,22ξ)-spirostan-3-yl 4-O-β-D-ribopyranosyl- [ACD/Index Name]
aspafilioside A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 827.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.8±6.0 kJ/mol
Flash Point: 454.1±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 181.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.81
ACD/KOC (pH 5.5): 2420.69
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.80
ACD/KOC (pH 7.4): 2420.66
Polar Surface Area: 177 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 528.6±5.0 cm3

Click to predict properties on the Chemicalize site


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