ChemSpider 2D Image | a-Avoparcin | C89H102ClN9O36

a-Avoparcin

  • Molecular FormulaC89H102ClN9O36
  • Average mass1909.254 Da
  • Monoisotopic mass1907.611572 Da
  • ChemSpider ID16736403
  • defined stereocentres - 31 of 31 defined stereocentres


More details:






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

(1S,18R,19R,22S,25R,28R,40R)-48-{[2-O-(3-Amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-4-[(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)oxy]-49-chloro-19-{[(2S)-2-{4
 -[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-22-(4-hydroxyphenyl)-18-(α-L-mannopyranosyloxy)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pen 
taazaoctacyclo[26.14.2.23,6.214,17.1~8,1 [ACD/IUPAC Name]
(1S,18R,19R,22S,25R,28R,40R)-48-{[2-O-(3-Amino-2,3,6-tridesoxy-α-L-ribo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-4-[(3-amino-2,3,6-tridesoxy-α-L-ribo-hexopyranosyl)oxy]-49-chlor-19-{[(2S)-2-{
 4-[(6-desoxy-α-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-22-(4-hydroxyphenyl)-18-(α-L-mannopyranosyloxy)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-p 
entaazaoctacyclo[26.14.2.23,6.214,17.1~8 [German] [ACD/IUPAC Name]
277-650-9 [EINECS]
73957-86-5 [RN]
a-Avoparcin
Acide (1S,18R,19R,22S,25R,28R,40R)-48-{[2-O-(3-amino-2,3,6-tridésoxy-α-L-ribo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-4-[(3-amino-2,3,6-tridésoxy-α-L-ribo-hexopyranosyl)oxy]-49-chloro-19-{[(
 2S)-2-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]phényl}-2-(méthylamino)acétyl]amino}-32,35,37-trihydroxy-22-(4-hydroxyphényl)-18-(α-L-mannopyranosyloxy)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27, 
41,43-pentaazaoctacyclo[26.14.2.23,6.2~14, [French] [ACD/IUPAC Name]
Avoparcin a
253-466-4 [EINECS]
37332-99-3 [RN]
Avoparcin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 461.0±0.4 cm3
#H bond acceptors: 45
#H bond donors: 28
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -3.82
ACD/LogD (pH 5.5): -9.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 710 Å2
Polarizability: 182.8±0.5 10-24cm3
Surface Tension: 115.9±5.0 dyne/cm
Molar Volume: 1119.0±5.0 cm3

Click to predict properties on the Chemicalize site





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