ChemSpider 2D Image | (3beta,5alpha,22xi,25R)-12-Oxospirostan-3-yl beta-D-galactopyranoside | C33H52O9

(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl β-D-galactopyranoside

  • Molecular FormulaC33H52O9
  • Average mass592.761 Da
  • Monoisotopic mass592.361145 Da
  • ChemSpider ID2307086
  • defined stereocentres - 16 of 17 defined stereocentres


More details:






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

(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Spirostan-12-one, 3-(β-D-galactopyranosyloxy)-, (3β,5α,22ξ,25R)- [ACD/Index Name]
β-D-Galactopyranoside de (3β,5α,22ξ,25R)-12-oxospirostan-3-yle [French] [ACD/IUPAC Name]
56857-65-9 [RN]
75216-36-3 [RN]
Agavosid A
Agavoside A
Spirostan-12-one, 3-(β-D-galactopyranosyloxy)- (3-β,5-α,25R)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 227.1±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.76
ACD/KOC (pH 5.5): 385.28
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.76
ACD/KOC (pH 7.4): 385.28
Polar Surface Area: 135 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 455.5±5.0 cm3

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