Deprecated ChemSpider Record

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ChemSpider 2D Image | 22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methylleucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa
-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid | C66H75Cl2N9O24

22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methylleucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa -21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid

  • Molecular FormulaC66H75Cl2N9O24
  • Average mass1449.254 Da
  • Monoisotopic mass1447.430176 Da
  • ChemSpider ID5449

More details:





Date of deprecation: 11:52, Mar 8, 2017
Reason for deprecation: Deprecate record: no defined stereochemistry

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methylleucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa ;-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid [ACD/IUPAC Name]
22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-tridesoxy-3-methylhexopyranosyl)hexopyranosyl]oxy}-5,15-dichlor-2,18,32,35,37-pentahydroxy-19-[(N-methylleucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa ;-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaen-40-carbonsäure [German] [ACD/IUPAC Name]
Acide 22-(2-amino-2-oxoéthyl)-48-{[2-O-(3-amino-2,3,6-tridésoxy-3-méthylhexopyranosyl)hexopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-méthylleucyl)amino]-20,23,26,42,44-pentaoxo-7,1 ;3-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadécaène-40-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 350.8±0.4 cm3
#H bond acceptors: 33
#H bond donors: 21
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -5.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 530 Å2
Polarizability: 139.1±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 874.7±5.0 cm3

Click to predict properties on the Chemicalize site






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