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853881-01-3 | D-erythro-Hexonic acid,6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester
CAS No: 853881-01-3 Catalog No: AG004OXA MDL No:
Product Description
Catalog Number:
AG004OXA
Chemical Name:
D-erythro-Hexonic acid,6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester
CAS Number:
853881-01-3
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
IUPAC Name:
tert-butyl 2-[(4R,6S)-6-(aminomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI:
InChI=1S/C13H25NO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8,14H2,1-5H3/t9-,10+/m1/s1
InChI Key:
RGJXYBVLMLBZQV-ZJUUUORDSA-N
SMILES:
NC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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