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Home> Hot Product Listed V   > Virginiamycin S1,5-[(2S)-4-hydroxy-2-piperidinecarboxylic acid]- (9CI)
4707-46-4 structure

Virginiamycin S1,5-[(2S)-4-hydroxy-2-piperidinecarboxylic acid]- (9CI)

Iupac Name:2,4-dihydroxy-3,6-dimethylbenzoic acid
CAS No.:4707-46-4
Molecular Weight:182.175
Molecular Formula:C13H21N3O3 (isomer)
Names and Identifiers
Synonyms

12H-Pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecine,cyclic peptide deriv. Dihydrostaphylomycin S Dihydrovirginiamycin S1 StaphylomycinS, 5-(4-hydroxy-L-pipecolic acid)- (8CI) Virginiamycin S1, 5-(4-hydroxy-L-2-piperidinecarboxylicacid)- Virginiamycin S1, dihydro-

Inchi
InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)
InChkey
VHNLJRRECIZZPX-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C(=C1C(=O)O)O)C)O
Properties
Density
1.146
Melting Point
186-189°C
Boiling Point
584.1°C at 760 mmHg
Refractive Index
1.627
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

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:182.175g/mol
  • Molecular Formula:C13H21N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:182.058
  • Monoisotopic Mass:182.058
  • Complexity:204
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:77.8A^2
  • Heavy Atom Count:13
  • 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: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAAAgCI AiDSCAACAAAkIAAAiAEGCMgIJzaCFRKAcUAl4BUImQeI7PTO4AADCAAYAADAAAYQADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:+86-531-58668191 58668193 58668196 58661173
  • Fax:
  • Tel:+44 (0)208 191 7890
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-(512)-52546388
  • Fax:+86-(512)-52540118
 
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