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116407-32-0 | 1,2-Cyclohexanediamine, (1R,2R)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
CAS No: 116407-32-0 Catalog No: AG000CE4 MDL No:MFCD18311881
Product Description
Catalog Number:
AG000CE4
Chemical Name:
1,2-Cyclohexanediamine, (1R,2R)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
CAS Number:
116407-32-0
Molecular Formula:
C10H20N2O6
Molecular Weight:
264.2756
MDL Number:
MFCD18311881
IUPAC Name:
(1R,2R)-cyclohexane-1,2-diamine;(2S,3S)-2,3-dihydroxybutanedioic acid
InChI:
InChI=1S/C6H14N2.C4H6O6/c7-5-3-1-2-4-6(5)8;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4,7-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t5-,6-;1-,2-/m10/s1
InChI Key:
GDOTUTAQOJUZOF-JWCLOVTGSA-N
SMILES:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.N[C@@H]1CCCC[C@H]1N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
264.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
264.278g/mol
Monoisotopic Mass:
264.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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