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132746-71-5 | 1-Oxaspiro[2.5]octan-6-amine, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-, (3R,4S,5S,6R)-
CAS No: 132746-71-5 Catalog No: AG00113H MDL No:
Product Description
Catalog Number:
AG00113H
Chemical Name:
1-Oxaspiro[2.5]octan-6-amine, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-, (3R,4S,5S,6R)-
CAS Number:
132746-71-5
Molecular Formula:
C16H27NO3
Molecular Weight:
281.3905
IUPAC Name:
(4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-amine
InChI:
InChI=1S/C16H27NO3/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14H,6-9,17H2,1-4H3/t11-,12-,13-,14-,15+,16?/m1/s1
InChI Key:
XHDRWKASOIRGHP-XOPOGPEOSA-N
SMILES:
CO[C@@H]1[C@H](N)CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
281.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.396g/mol
Monoisotopic Mass:
281.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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