ChemSpider 2D Image | (3beta,11alpha,12beta,14beta,20S)-11,12,14,20-Tetrahydroxypregnan-3-yl 6-deoxy-4-O-alpha-D-glucopyranosyl-alpha-L-galactopyranoside | C33H56O14

(3β,11α,12β,14β,20S)-11,12,14,20-Tetrahydroxypregnan-3-yl 6-deoxy-4-O-α-D-glucopyranosyl-α-L-galactopyranoside

  • Molecular FormulaC33H56O14
  • Average mass676.789 Da
  • Monoisotopic mass676.367004 Da
  • ChemSpider ID9620171

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,11α,12β,14β,20S)-11,12,14,20-Tetrahydroxypregnan-3-yl 6-deoxy-4-O-α-D-glucopyranosyl-α-L-galactopyranoside [ACD/IUPAC Name]
(3β,11α,12β,14β,20S)-11,12,14,20-Tetrahydroxypregnan-3-yl-6-desoxy-4-O-α-D-glucopyranosyl-α-L-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-α-D-glucopyranosyl-α-L-galactopyranoside de (3β,11α,12β,14β,20S)-11,12,14,20-tétrahydroxyprégnan-3-yle [French] [ACD/IUPAC Name]
α-L-Galactopyranoside, (3β,11α,12β,14β,20S)-11,12,14,20-tetrahydroxypregnan-3-yl 6-deoxy-4-O-α-D-glucopyranosyl- [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: 851.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 468.6±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.89
Polar Surface Area: 239 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 463.0±5.0 cm3

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