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88899-59-6 | 6-[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxo-pyran-3-carbaldehyde
CAS No: 88899-59-6 Catalog No: AG008AAR MDL No:
Product Description
Catalog Number:
AG008AAR
Chemical Name:
6-[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxo-pyran-3-carbaldehyde
CAS Number:
88899-59-6
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
IUPAC Name:
6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxopyran-3-carbaldehyde
InChI:
InChI=1S/C19H25NO4/c1-12-6-7-13-4-2-3-5-14(13)18(12)17-10-16(20-8-9-21)15(11-22)19(23)24-17/h6-7,10-14,18,20-21H,2-5,8-9H2,1H3/t12-,13+,14+,18+/m0/s1
InChI Key:
FDLXGUBSZCJEGE-HNSFDTNUSA-N
SMILES:
OCCNc1cc(oc(=O)c1C=O)[C@@H]1[C@H](C)C=C[C@H]2[C@H]1CCCC2
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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