ChemSpider 2D Image | (3beta,5alpha,6alpha,22R,23S,25R)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(5S)-2,3,4-tri-O-acetyl-5-(2-oxopropyl)-alpha-L-lyxopyranosyl]-beta-D-glucopyranosyl}oxy)-3-hydroxyspirostan-23-yl acetate | C53H78O20

(3β,5α,6α,22R,23S,25R)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(5S)-2,3,4-tri-O-acetyl-5-(2-oxopropyl)-α-L-lyxopyranosyl]-β-D-glucopyranosyl}oxy)-3-hydroxyspirostan-23-yl acetate

  • Molecular FormulaC53H78O20
  • Average mass1035.174 Da
  • Monoisotopic mass1034.508667 Da
  • ChemSpider ID9673834

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,5α,6α,22R,23S,25R)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(5S)-2,3,4-tri-O-acetyl-5-(2-oxopropyl)-α-L-lyxopyranosyl]-β-D-glucopyranosyl}oxy)-3-hydroxyspirostan-23-yl acetate [ACD/IUPAC Name]
(3β,5α,6α,22R,23S,25R)-6-({2,4-Di-O-acetyl-6-desoxy-3-O-[(5S)-2,3,4-tri-O-acetyl-5-(2-oxopropyl)-α-L-lyxopyranosyl]-β-D-glucopyranosyl}oxy)-3-hydroxyspirostan-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6α,22R,23S,25R)-6-({2,4-di-O-acétyl-6-désoxy-3-O-[(5S)-2,3,4-tri-O-acétyl-5-(2-oxopropyl)-α-L-lyxopyranosyl]-β-D-glucopyranosyl}oxy)-3-hydroxyspirostan-23-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,22R,23S,25R)-23-(acetyloxy)-3-hydroxyspirostan-6-yl 6-deoxy-3-O-(2,3,4-tri-O-acetyl-6,8-dideoxy-α-L-manno-octopyranosyl-7-ulose)-, diacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.3±6.0 kJ/mol
Flash Point: 247.6±27.8 °C
Index of Refraction: 1.551
Molar Refractivity: 253.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30603.98
ACD/KOC (pH 5.5): 56559.34
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30603.98
ACD/KOC (pH 7.4): 56559.34
Polar Surface Area: 250 Å2
Polarizability: 100.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 796.0±5.0 cm3

Click to predict properties on the Chemicalize site


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