ChemSpider 2D Image | (1beta,3beta,22R,25R)-1-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-ribopyranosyl-(1->3)]-beta-D-ribopyranosyl]oxy}-3,22-dihydroxyfurost-5-en-26-yl beta-D-allopyranoside | C49H80O22

(1β,3β,22R,25R)-1-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-3,22-dihydroxyfurost-5-en-26-yl β-D-allopyranoside

  • Molecular FormulaC49H80O22
  • Average mass1021.146 Da
  • Monoisotopic mass1020.514099 Da
  • ChemSpider ID28637899
  • defined stereocentres - 30 of 30 defined stereocentres


More details:



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(1β,3β,22R,25R)-1-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-3,22-dihydroxyfurost-5-en-26-yl β-D-allopyranoside [ACD/IUPAC Name]
(1β,3β,22R,25R)-1-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-3,22-dihydroxyfurost-5-en-26-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (1β,3β,22R,25R)-1-{[6-désoxy-α-L-mannopyranosyl-(1->;2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-3,22-dihydroxyfurost-5-én-26-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (1β,3β,22β,25R)-1-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl [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: 1.639
Molar Refractivity: 245.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.91
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.91
Polar Surface Area: 346 Å2
Polarizability: 97.2±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 681.4±5.0 cm3

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