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Home> Hot Product Listed V   > Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-44-O-de[2-O-(3-amino-2...
138112-76-2 structure

Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-44-O-de[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-b-D-glucopyranosyl]- (9CI)

Iupac Name:N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CAS No.:138112-76-2
EINECS(EC#): 282-031-1
Molecular Weight:243.306
Molecular Formula:C18H18O8 (isomer)
Names and Identifiers
Synonyms

22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine,vancomycin deriv. AC1MIZQD AM000578 Antibiotic PA 45052C chloroorienticin c PA 45052C vancomycin, 22-o-(3-amino-2,3,6-trideoxy-3-c-methyl-alpha-l-arabino-hexopyranosyl)-14-o-de(2-o-(3-amino-2,3,6-trideoxy-3-c-methyl-alpha-l-arabino-hexopyranosyl)-beta-d-glucopyranosyl)-

Inchi
InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChkey
YJYPHIXNFHFHND-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
Properties
Melting Point
107-109°C
Safety and Handling
Risk Statements
50
Safety Statements
61
Transport
UN 3077 9 / PGIII
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:243.306g/mol
  • Molecular Formula:C18H18O8
  • Compound Is Canonicalized:True
  • Exact Mass:243.126
  • Monoisotopic Mass:243.126
  • Complexity:280
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAQAAAADATBmAYyBsLABACI AiFSEAACCAAgIAAIiIAOCIgMJiKEsRuEMCAk1hGIqAeQwPAOoAADAAAQAABAAAYAACAAAAAAAAAA AA==
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