ChemSpider 2D Image | (3beta,14xi,17xi,22alpha,25R)-Spirosol-5-en-3-yl alpha-D-glucopyranoside | C33H53NO7

(3β,14ξ,17ξ,22α,25R)-Spirosol-5-en-3-yl α-D-glucopyranoside

  • Molecular FormulaC33H53NO7
  • Average mass575.776 Da
  • Monoisotopic mass575.382202 Da
  • ChemSpider ID58837434

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3β,14ξ,17ξ,22α,25R)-Spirosol-5-en-3-yl α-D-glucopyranoside [ACD/IUPAC Name]
(3β,14ξ,17ξ,22α,25R)-Spirosol-5-en-3-yl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de (3β,14ξ,17ξ,22α,25R)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (3β,14ξ,17ξ,22α,25R)-spirosol-5-en-3-yl [ACD/Index Name]
&β;-D-glucopyranoside, (3&β;,22&α;,25R)-spirosol-5-en-3-yl
&γ;-solamargine
-D-glucoside
solasod-5-ene
solasodine 3-O-&;β
solasodine 3-O-&;β;-D-glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 714.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 14.34
ACD/KOC (pH 7.4): 97.74
Polar Surface Area: 121 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 452.7±5.0 cm3

Click to predict properties on the Chemicalize site


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