Deprecated ChemSpider Record

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ChemSpider 2D Image | 22-(2-Amino-2-oxoethyl)-40-carboxy-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[4-methyl-2-(methylammonio)pentanoyl]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-pentadecaen-48-yl 2-O-(3-ammonio-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranoside | C66H77Cl2N9O24

22-(2-Amino-2-oxoethyl)-40-carboxy-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[4-methyl-2-(methylammonio)pentanoyl]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-48-yl 2-O-(3-ammonio-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranoside

  • Molecular FormulaC66H77Cl2N9O24
  • Average mass1451.268 Da
  • Monoisotopic mass1449.444702 Da
  • ChemSpider ID2641043

  • Charge - Charge

More details:

Date of deprecation: 14:49, Feb 7, 2024
Reason for deprecation: Deprecate record: 18 undefined stereocentres

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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)-40-carboxy-5,15-dichlor-2,18,32,35,37-pentahydroxy-19-{[4-methyl-2-(methylammonio)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2 ;3,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaen-48-yl-2-O-(3-ammonio-2,3,6-tridesoxy-3-methylhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
22-(2-Amino-2-oxoethyl)-40-carboxy-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[4-methyl-2-(methylammonio)pentanoyl]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-48-yl 2-O-(3-ammonio-2,3,6-trideoxy-3-methylhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
2-O-(3-Ammonio-2,3,6-tridésoxy-3-méthylhexopyranosyl)hexopyranoside de 22-(2-amino-2-oxoéthyl)-40-carboxy-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[4-méthyl-2-(méthylammonio)pentanoyl]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-pentadécaén-48-yle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 537 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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