Products for Research Use Only
RegisterLogin

Epiphenethicillin

CAT: 0013-GTR19200330-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19200330-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Epiphenethicillin
CAS Number
7177-41-5
Smiles
[K].[H][C@]12SC (C) (C) [C@@H] (N1C (=O) [C@H]2NC (=O) [C@H] (C) Oc1ccccc1) C (O) =O
Molecular Formula
C17H19KN2O5S
Molecular Weight
402.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epiphenethicillin
CAS Number7177-41-5
PubChem CID6852256
IUPAC Name(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC17H20N2O5S
Molecular Weight364.4
XLogP2.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
C[C@@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9-,11+,12-,15+/m0/s1
InChIKey
NONJJLVGHLVQQM-XDYICZGBSA-N
Chemical Structure
2D Structure
2D structure of Epiphenethicillin
CAS: 7177-41-5
CID: 6852256
Formula: C17H20N2O5S
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass364.10929292
Monoisotopic Mass364.10929292
Topological Polar Surface Area121 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T24033-01Epiphenethicillin

Popular Products