ChemSpider 2D Image | Vancomycin | C66H75Cl2N9O24

Vancomycin

  • Molecular FormulaC66H75Cl2N9O24
  • Average mass1449.254 Da
  • Monoisotopic mass1447.430176 Da
  • ChemSpider ID14253

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

Vancomycin [INN] [USAN] [USP] [Wiki]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N -methyl-D-leucyl)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),30,32,34,3 
6,38,46,49-pentadecaene-40-carboxylic acid [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)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
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-tridesoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-5,15-dichlor-2,18,32,35,37-pentahydroxy-19-[(N -methyl-D-leucyl)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),30,32,34,3 
6,38,46,49-pentadecaen-40-carbonsäure [German] [ACD/IUPAC Name]
1404-93-9 [RN]
215-772-6 [EINECS]
6Q205EH1VU
Acide (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoéthyl)-48-{[2-O-(3-amino-2,3,6-tridésoxy-3-méthyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy -19-[(N-méthyl-D-leucyl)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-pentadécaène-40-carboxyliq [French] [ACD/IUPAC Name]
Lyphocin (LyphoMed)
Vancocin [Trade name]
More...

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

680 [DBID]
AIDS070034 [DBID]
AIDS-070034 [DBID]
HSDB 3262 [DBID]
Prestwick0_000497 [DBID]
Prestwick1_000497 [DBID]
SPBio_002314 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Organochloride; Amine; Ether; Drug; Anti-Bacterial Agent; Metabolite; Glycopeptide Antibacterial; Synthetic Compound Toxin, Toxin-Target Database T3D3543

    • Chemical Class:

      A complex glycopeptide from <ital>Streptomyces orientalis</ital>. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria <ital>Staphylococcus aureus</ita l> and <ital>Clostridium difficile</ital>. ChEBI CHEBI:28001
      A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium diffici le. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28001, CHEBI:28001

    • Bio Activity:

      Antibacterial MedChem Express HY-B0671
      Anti-infection; MedChem Express HY-B0671
      Vancomycin (Vancocin) is an antibiotic useful for the treatment of a number of bacterial infections; is effective mostly against Gram-positive bacteria. MedChem Express
      Vancomycin (Vancocin) is an antibiotic useful for the treatment of a number of bacterial infections; is effective mostly against Gram-positive bacteria.MICs value:Vancomycin is a glycopeptide antibiotic which primarily used for the treatment of serious infections caused by Gram-(+) bacteria known or suspected to be resistant to other antibiotics.Orally administered vancomycin is recommended as a treatment for intestinal infection with Clostridium difficile, a common side effect of treatment with broad-spectrum antibiotics. MedChem Express HY-B0671

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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