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Home > Pyridines > 121497-13-0
121497-13-0 | D-Arabinitol, 1-C-[1,4-dihydro-3,5-bis(methoxycarbonyl)-2,6-dimethyl-4-pyridinyl]-, (1R)-
CAS No: 121497-13-0 Catalog No: AG00152K MDL No:
Product Description
Catalog Number:
AG00152K
Chemical Name:
D-Arabinitol, 1-C-[1,4-dihydro-3,5-bis(methoxycarbonyl)-2,6-dimethyl-4-pyridinyl]-, (1R)-
CAS Number:
121497-13-0
Molecular Formula:
C16H25NO9
Molecular Weight:
375.3710
IUPAC Name:
dimethyl 2,6-dimethyl-4-[(1R,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C16H25NO9/c1-6-9(15(23)25-3)11(10(7(2)17-6)16(24)26-4)13(21)14(22)12(20)8(19)5-18/h8,11-14,17-22H,5H2,1-4H3/t8-,12-,13-,14+/m1/s1
InChI Key:
IUVQJMAYVVPMTC-OJICRYGUSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@@H](C1C(=C(C)NC(=C1C(=O)OC)C)C(=O)OC)O)O)O)O
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
375.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
375.374g/mol
Monoisotopic Mass:
375.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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