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Home> Encyclopedia > Hot Product Listed 2   > 2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (2R)-
25389-94-0 structure

2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (2R)-

Iupac Name:(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid
CAS No.:25389-94-0
Molecular Weight:582.57700
Molecular Formula:C8H6F3NO3 (isomer)
Names and Identifiers
Synonyms

(4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-4-CARBOXYLIC ACID (4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-4-CARBOXYLIC ACID 99% (4R)-N-(tert-Butyldimethylsilyl)azetidin-2-one-4-carboxylic acid,99% (4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-CARBOXYLIC ACID (R)-1-(tert-Butyldimethylsilanyl)-4-oxoazetidine-2-carboxylic acid (R)-1-(tert-butyldiMethylsilyl)-4-oxoazetidine-2-carboxylic acid 2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (R)-

Inchi
InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16?,17-,18-;/m1./s1
InChkey
OOYGSFOGFJDDHP-HGBJQEFVSA-N
Canonical Smiles
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N.OS(=O)(=O)O
Properties
Appearance
White to off-whiteCrystalline Powder or Chunks
Melting Point
250ºC
Boiling Point
709.5°Cat760mmHg
Vapour
0mmHg at 25°C
Refractive Index
117.5 ° (C=1, H2O)
HS Code
2941902000
Safety and Handling
Risk Statements
R61
Safety Statements
S45
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:582.57700g/mol
  • Molecular Formula:C8H6F3NO3
  • Compound Is Canonicalized:True
  • Exact Mass:582.205
  • Monoisotopic Mass:582.205
  • Complexity:720
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:13
  • Hydrogen Bond Acceptor Count:19
  • Topological Polar Surface Area:366A^2
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:14
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB7vABAAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABoAA AAAAADAAAAAAAAAAAIAAAAATEAIAwAAjQAAHEAAHAAHwcA0AAAAAAAAAAAAAgAAUCACgAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
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  • Tel:86-571-87396430
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  • Tel:86-571-86960370
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