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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...
14284-93-6 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:(Z)-4-oxopent-2-en-2-olate;ruthenium(3+)
CAS No.:14284-93-6
EINECS(EC#): 282-031-1
Molecular Weight:398.397
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/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChkey
RTZYCRSRNSTRGC-LNTINUHCSA-K
Canonical Smiles
CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ru+3]
Isomers Smiles
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ru+3]
Properties
Melting Point
230-235℃
Vapour
0.174mmHg at 25°C
HS Code
28439000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:398.397g/mol
  • Molecular Formula:C18H18O8
  • Compound Is Canonicalized:True
  • Exact Mass:399.038
  • Monoisotopic Mass:399.038
  • Complexity:90.4
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:120A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:3
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
  • CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACAAAAAACI AKBSAAAAAAAgIAAACAAAAEgAAAAAAQAAAAAAAAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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