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102053-40-7 | Androst-4-ene-3,17-dione, 19-azido- (9CI)
CAS No: 102053-40-7 Catalog No: AG0006H4 MDL No:
Product Description
Catalog Number:
AG0006H4
Chemical Name:
Androst-4-ene-3,17-dione, 19-azido- (9CI)
CAS Number:
102053-40-7
Molecular Formula:
C19H25N3O2
Molecular Weight:
327.4207
IUPAC Name:
(8R,9S,10S,13S,14S)-10-(azidomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C19H25N3O2/c1-18-8-7-16-14(15(18)4-5-17(18)24)3-2-12-10-13(23)6-9-19(12,16)11-21-22-20/h10,14-16H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChI Key:
YXESQHWXOVHCMN-BGJMDTOESA-N
SMILES:
[N-]=[N+]=NC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
327.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.428g/mol
Monoisotopic Mass:
327.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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