ChemSpider 2D Image | (3beta,17xi,25R)-Spirostan-3-yl 4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranoside | C50H82O22

(3β,17ξ,25R)-Spirostan-3-yl 4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-galactopyranoside

  • Molecular FormulaC50H82O22
  • Average mass1035.173 Da
  • Monoisotopic mass1034.529785 Da
  • ChemSpider ID9084527

  • defined stereocentres - 28 of 30 defined stereocentres

More details:

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

(3β,17ξ,25R)-Spirostan-3-yl 4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->;2)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,17ξ,25R)-Spirostan-3-yl-4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->;2)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-galactopyranoside de (3β,17ξ,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,17ξ,25R)-spirostan-3-yl O-β-D-glucopyranosyl-(1->2)-O-[4-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 248.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 56.44
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.44
Polar Surface Area: 335 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 693.9±5.0 cm3

Click to predict properties on the Chemicalize site


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