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BEC HCl

CAT: 0498-bs-6698C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6698C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
222638-67-7
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
Cl.N[C@@H](CSCCB(O)O)C(O)=O
Molecular Formula
C5 H13 B Cl N O4 S
Molecular Weight
229.49
InChI
InChI=1S/C5H12BNO4S.ClH/c7-4 (5 (8) 9) 3-12-2-1-6 (10) 11; /h4,10-11H,1-3,7H2, (H,8,9) ;1H/t4-; /m0./s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

L-Cysteine, S-(2-boronoethyl)-, hydrochloride (1:1)
CAS Number222638-67-7
PubChem CID91826515
IUPAC Name(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride
Molecular FormulaC5H13BClNO4S
Molecular Weight229.49
Topological Polar Surface Area129
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity145
SMILES
B(CCSC[C@@H](C(=O)O)N)(O)O.Cl
InChI
InChI=1S/C5H12BNO4S.ClH/c7-4(5(8)9)3-12-2-1-6(10)11;/h4,10-11H,1-3,7H2,(H,8,9);1H/t4-;/m0./s1
InChIKey
GHPYJLCQYMAXGG-WCCKRBBISA-N
Chemical Structure
2D Structure
2D structure of L-Cysteine, S-(2-boronoethyl)-, hydrochloride (1:1)
CAS: 222638-67-7
CID: 91826515
Formula: C5H13BClNO4S
MW: 229.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.49
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass229.0346869
Monoisotopic Mass229.0346869
Topological Polar Surface Area129 Ų
Heavy Atom Count13
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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