ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20R)-3-Hydroxypregn-5-en-20-yl 6-O-beta-L-glucopyranosyl-beta-L-glucopyranoside | C33H54O12

(3α,8α,9β,10α,13α,14β,17α,20R)-3-Hydroxypregn-5-en-20-yl 6-O-β-L-glucopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID82965427
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3α,8α,9β,10α,13α,14β,17α,20R)-3-Hydroxypregn-5-en-20-yl 6-O-β-L-glucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α,20R)-3-Hydroxypregn-5-en-20-yl-6-O-β-L-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-L-Glucopyranosyl-β-L-glucopyranoside de (3α,8α,9β,10α,13α,14β,17α,20R)-3-hydroxyprégn-5-én-20-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,8α,9β,10α,13α,14β,17α,20R)-3-hydroxypregn-5-en-20-yl 6-O-β-L-glucopyranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 452.6±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 188.56
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 188.56
Polar Surface Area: 199 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 460.2±5.0 cm3

Click to predict properties on the Chemicalize site






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