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5988-51-2 | 2-(Dimethylamino)ethanol (2R,3R)-2,3-dihydroxysuccinate
CAS No: 5988-51-2 Catalog No: AG003H5L MDL No:MFCD00066567
Product Description
Catalog Number:
AG003H5L
Chemical Name:
2-(Dimethylamino)ethanol (2R,3R)-2,3-dihydroxysuccinate
CAS Number:
5988-51-2
Molecular Formula:
C8H17NO7
Molecular Weight:
239.2231
MDL Number:
MFCD00066567
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;2-(dimethylamino)ethanol
InChI:
InChI=1S/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChI Key:
UIEGYKVRCKDVKQ-LREBCSMRSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.OCCN(C)C
EC Number:
227-809-3
UNII:
D240J05W14
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
239.224g/mol
Monoisotopic Mass:
239.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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