Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R)-amino(2-amino-6-benzothiazolyl)acetyl]...
50-70-4 structure

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R)-amino(2-amino-6-benzothiazolyl)acetyl]amino]-8-oxo-3-(1Z)-1-propenyl-,(6R,7R)- (9CI)

Iupac Name:(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CAS No.:50-70-4
Molecular Weight:182.17
Molecular Formula:C14H14O4 (isomer)
Names and Identifiers
Synonyms

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[amino(2-amino-6-benzothiazolyl)acetyl]amino]-8-oxo-3-(1-propenyl)-,[6R-[3(Z),6a,7b(R*)]]- BAY 3522 Bay v 3522 BAY-v 3522

Inchi
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChkey
FBPFZTCFMRRESA-JGWLITMVSA-N
Canonical Smiles
C(C(C(C(C(CO)O)O)O)O)O
Isomers Smiles
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
Properties
Density
1.028
Melting Point
98-100 °C(lit.)
Boiling Point
724.3°Cat760mmHg
Vapour
<0.1 mm Hg ( 25 °C)
Refractive Index
n20/D 1.46
Flash Point
292.4°C
Alpha
4 º (per eur. pharm.)
HS Code
29054491
Safety and Handling
Risk Statements
36/37/38
Safety Statements
8-36-26-24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:182.17g/mol
  • Molecular Formula:C14H14O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.1
  • Exact Mass:182.079
  • Monoisotopic Mass:182.079
  • Complexity:105
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:4
  • 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: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-532-87851517
  • Fax:+86-532-87851517
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-532-87851517
  • Fax:+86-532-87851517
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
 
<