Found 1 result

Search term: NGIWZTHACNOTTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1beta,3beta,5alpha,25R)-3-Hydroxyspirostan-1-yl beta-D-glucopyranoside | C33H54O9

(1β,3β,5α,25R)-3-Hydroxyspirostan-1-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID9517317

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1β,3β,5α,25R)-3-Hydroxyspirostan-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,5α,25R)-3-Hydroxyspirostan-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,5α,25R)-3-hydroxyspirostan-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,5α,25R)-3-hydroxyspirostan-1-yl [ACD/Index Name]
(25R)-3[β]-hydroxy-5[α]-spirostan-1[β]-yl [β]-D-glucopyranoside
790661-46-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445811/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.11
ACD/KOC (pH 5.5): 488.93
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.11
ACD/KOC (pH 7.4): 488.92
Polar Surface Area: 138 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 456.5±5.0 cm3

Click to predict properties on the Chemicalize site


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