ChemSpider 2D Image | Spongioside B | C53H86O23

Spongioside B

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID9204731

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,16β,22S)-16-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-22-hydroxy-12-oxocholest-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β,22S)-16-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-22-hydroxy-12-oxocholest-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,16β,22S)-16-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-22-hydroxy-12-oxocholest-5-én-3- ; yle [French] [ACD/IUPAC Name]
Cholest-5-en-12-one, 16-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy]-22-hydroxy-, (3β,16b
 η,22S)- [ACD/Index Name]
Spongioside B
(22S)-16β-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-22-hydroxy-3β-[(O-R-L-rhamnopyranosyl-(1-2)-O-[R-L-rhamnopyranosyl-(1-4)]-β-D-glucopyranosyl)oxy]cholest-5-en-12-one
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-16-O-(6-O-acetyl-Glcb)-12-oxo-cholest-5-en-3β,16β,22S-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1123.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.9±6.0 kJ/mol
Flash Point: 309.8±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 264.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 23.00
ACD/KOC (pH 5.5): 328.17
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 23.00
ACD/KOC (pH 7.4): 328.17
Polar Surface Area: 360 Å2
Polarizability: 104.9±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 760.9±5.0 cm3

Click to predict properties on the Chemicalize site


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