ChemSpider 2D Image | (5alpha,22Z,25S)-26-(beta-D-Glucopyranosyloxy)-20-hydroxyfurost-22-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside | C51H84O22

(5α,22Z,25S)-26-(β-D-Glucopyranosyloxy)-20-hydroxyfurost-22-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID9978859

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 30 of 31 defined stereocentres

More details:

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

(5α,22Z,25S)-26-(β-D-Glucopyranosyloxy)-20-hydroxyfurost-22-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(5α,22Z,25S)-26-(β-D-Glucopyranosyloxy)-20-hydroxyfurost-22-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 (5α,22Z,25S)-26-(β-D-glucopyranosyloxy)-20-hydroxyfurost-22-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5α,22Z,25S)-26-(β-D-glucopyranosyloxy)-20-hydroxyfurost-22-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 254.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.34
ACD/KOC (pH 5.5): 341.77
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.34
ACD/KOC (pH 7.4): 341.77
Polar Surface Area: 346 Å2
Polarizability: 100.9±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 713.9±5.0 cm3

Click to predict properties on the Chemicalize site


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