Home Other Building Blocks (R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt

(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt

CAS No.:
60979-68-2
Catalog Number:
AG00EEQE
Molecular Formula:
C6H11NaO4
Molecular Weight:
170.1389
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Product Description
Catalog Number:
AG00EEQE
Chemical Name:
(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt
CAS Number:
60979-68-2
Molecular Formula:
C6H11NaO4
Molecular Weight:
170.1389
MDL Number:
MFCD29079001
IUPAC Name:
sodium;(2R)-2,4-dihydroxy-3,3-dimethylbutanoate
InChI:
InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-;/m0./s1
InChI Key:
XTIMSSMEPPKSQD-WCCKRBBISA-M
SMILES:
OCC([C@H](C(=O)[O-])O)(C)C.[Na+]
EC Number:
612-057-4
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
170.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.14g/mol
Monoisotopic Mass:
170.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties