ChemSpider 2D Image | Methyl (2R,20R,21R,54S)-24-amino-2-[(3-amino-2,3,6-trideoxy-beta-L-ribo-hexopyranosyl)oxy]-11-{[beta-L-arabinopyranosyl-(1->2)-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-D-mannopyranosyl-(1->6)]-bet a-L-glucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(beta-D-mannopyranosyloxy)-32-methyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridecacyclo[40.14.2.2~21,36~.1~3,7~.1~6,10~. 1~9,13~.1~12,16~.1~15,19~.1~25,29~.1~31,35~. | C98H113N7O43

Methyl (2R,20R,21R,54S)-24-amino-2-[(3-amino-2,3,6-trideoxy-β-L-ribo-hexopyranosyl)oxy]-11-{[β-L-arabinopyranosyl-(1->2)-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->6)]-bet a-L-glucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(β-D-mannopyranosyloxy)-32-methyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridecacyclo[40.14.2.221,36.13,7.16,10. 19,13.112,16.115,19.125,29.131,35.

  • Molecular FormulaC98H113N7O43
  • Average mass2076.967 Da
  • Monoisotopic mass2075.687012 Da
  • ChemSpider ID21106475

  • defined stereocentres - 32 of 37 defined stereocentres

More details:

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

(2R,20R,21R,54S)-24-Amino-2-[(3-amino-2,3,6-tridésoxy-β-L-ribo-hexopyranosyl)oxy]-11-{[β-L-arabinopyranosyl-(1->;2)-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-D-mannopyranosyl-(1->6)]-β-L-g lucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(β-D-mannopyranosyloxy)-32-méthyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridécacyclo[40.14.2.221,36.13,7.16,10.19,1 3.112,16.115,19.125,29.131,35.1~43, [French] [ACD/IUPAC Name]
Methyl (2R,20R,21R,54S)-24-amino-2-[(3-amino-2,3,6-trideoxy-β-L-ribo-hexopyranosyl)oxy]-11-{[β-L-arabinopyranosyl-(1->2)-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->6)]-bet a-L-glucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(β-D-mannopyranosyloxy)-32-methyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridecacyclo[40.14.2.221,36.13,7.16,10. 19,13.112,16.115,19.125,29.131,35. [ACD/IUPAC Name]
Methyl-(2R,20R,21R,54S)-24-amino-2-[(3-amino-2,3,6-tridesoxy-β-L-ribo-hexopyranosyl)oxy]-11-{[β-L-arabinopyranosyl-(1->2)-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-D-mannopyranosyl-(1->6)]-b η-L-glucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(β-D-mannopyranosyloxy)-32-methyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridecacyclo[40.14.2.221,36.13,7.16,10 .19,13.112,16.115,19.125,29.1~31,35 [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 495.2±0.4 cm3
#H bond acceptors: 50
#H bond donors: 30
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -7.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 787 Å2
Polarizability: 196.3±0.5 10-24cm3
Surface Tension: 126.0±5.0 dyne/cm
Molar Volume: 1176.6±5.0 cm3

Click to predict properties on the Chemicalize site


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