Home Carboxys (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS No.:
957-68-6
Catalog Number:
AG003NCV
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$32
- +
100g
96%
In Stock USA
United States
$75
- +
500g
96%
In Stock USA
United States
$288
- +
Product Description
Catalog Number:
AG003NCV
Chemical Name:
(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number:
957-68-6
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
MDL Number:
MFCD00005177
IUPAC Name:
(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
InChI Key:
HSHGZXNAXBPPDL-HZGVNTEJSA-N
SMILES:
CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)N
EC Number:
213-485-0
UNII:
9XI67897RG
Properties
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.047g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.275g/mol
Monoisotopic Mass:
272.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4  
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Properties