ChemSpider 2D Image | Avoparcin b | C89H101Cl2N9O36

Avoparcin b

  • Molecular FormulaC89H101Cl2N9O36
  • Average mass1943.699 Da
  • Monoisotopic mass1941.572632 Da
  • ChemSpider ID16736404
  • 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-22-(3-chloro-4
 -hydroxyphenyl)-19-{[(2S)-2-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-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, [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-22-(3-chlor-4
 -hydroxyphenyl)-19-{[(2S)-2-{4-[(6-desoxy-α-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-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 [German] [ACD/IUPAC Name]
277-651-4 [EINECS]
49-Chloroavoparcin a
73957-87-6 [RN]
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-22-(3-
 chloro-4-hydroxyphényl)-19-{[(2S)-2-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]phényl}-2-(méthylamino)acétyl]amino}-32,35,37-trihydroxy-18-(α-L-mannopyranosyloxy)-20,23,26,42,44-pentaoxo-7,13-dioxa- 
21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3 [French] [ACD/IUPAC Name]
Avoparcin b
b-Avoparcin
253-466-4 [EINECS]
37332-99-3 [RN]
More...

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

BRN 5698675 [DBID]

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: 1.762
Molar Refractivity: 465.8±0.4 cm3
#H bond acceptors: 45
#H bond donors: 28
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -3.26
ACD/LogD (pH 5.5): -8.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 710 Å2
Polarizability: 184.7±0.5 10-24cm3
Surface Tension: 116.2±5.0 dyne/cm
Molar Volume: 1129.5±5.0 cm3

Click to predict properties on the Chemicalize site





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