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PCC0208018

CAT: 0013-GTR19209695-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209695-02Size:50 mg
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Description
PCC0208018
CAS Number
1673534-73-0
Smiles
[C@@H] (CC (N) =O) (N) C1=NC ([C@H] (CO) N) =NO1
Molecular Formula
C7H13N5O3
Molecular Weight
215.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-3-amino-3-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)propanamide
CAS Number1673534-73-0
PubChem CID91663290
IUPAC Name(3S)-3-amino-3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
Molecular FormulaC7H13N5O3
Molecular Weight215.21
XLogP-3.8
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity227
SMILES
C([C@@H](C1=NC(=NO1)[C@H](CO)N)N)C(=O)N
InChI
InChI=1S/C7H13N5O3/c8-3(1-5(10)14)7-11-6(12-15-7)4(9)2-13/h3-4,13H,1-2,8-9H2,(H2,10,14)/t3-,4-/m0/s1
InChIKey
GBRIVGUQMYWVTC-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-amino-3-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)propanamide
CAS: 1673534-73-0
CID: 91663290
Formula: C7H13N5O3
MW: 215.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.21
XLogP3-3.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass215.10183929
Monoisotopic Mass215.10183929
Topological Polar Surface Area154 Ų
Heavy Atom Count15
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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