Home Other Building Blocks CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE

CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE

CAS No.:
17097-76-6
Catalog Number:
AG00AOH5
Molecular Formula:
C20H36CaN2O10
Molecular Weight:
504.5852
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Product Description
Catalog Number:
AG00AOH5
Chemical Name:
CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE
CAS Number:
17097-76-6
Molecular Formula:
C20H36CaN2O10
Molecular Weight:
504.5852
MDL Number:
MFCD01941641
IUPAC Name:
calcium;4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoate
InChI:
InChI=1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2/t2*8-;/m00./s1
InChI Key:
OVXZVDMCQPLHIY-QXGOIDDHSA-L
SMILES:
OCC([C@H](C(=O)NCCCC(=O)[O-])O)(C)C.OCC([C@H](C(=O)NCCCC(=O)[O-])O)(C)C.[Ca+2]
UNII:
LK8EOC1M6K
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
504.2g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
504.59g/mol
Monoisotopic Mass:
504.2g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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