CID 22790720
PubChem CID
22790720
Structure
Molecular Formula
Status
Non-live
Molecular Weight
271.27 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(6R,7S)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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)/p-1/t6-,9+/m0/s1
HSHGZXNAXBPPDL-IMTBSYHQSA-M
CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)N)SC1)C(=O)[O-]
C10H11N2O5S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.27 g/mol
Property Name
XLogP3
Property Value
-3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
271.03886763 g/mol
Property Name
Monoisotopic Mass
Property Value
271.03886763 g/mol
Property Name
Topological Polar Surface Area
Property Value
138 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
456
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS