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81142-76-9 | SPIRO[GONANE-17,5'-[1,2,3]OXATHIAZOLIDINE]
CAS No: 81142-76-9 Catalog No: AG004ZQT MDL No:
Product Description
Catalog Number:
AG004ZQT
Chemical Name:
SPIRO[GONANE-17,5'-[1,2,3]OXATHIAZOLIDINE]
CAS Number:
81142-76-9
Molecular Formula:
C18H29NOS
Molecular Weight:
307.4940
IUPAC Name:
(8R,9R,10S,13S,14S)-spiro[1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthrene-17,5'-oxathiazolidine]
InChI:
InChI=1S/C18H29NOS/c1-2-4-13-12(3-1)5-6-15-14(13)7-8-17-16(15)9-10-18(17)11-19-21-20-18/h12-17,19H,1-11H2/t12?,13-,14+,15+,16-,17-,18?/m0/s1
InChI Key:
FWRVZKRUVSHCMR-OJIMNTFYSA-N
SMILES:
C1CCC2[C@H](C1)[C@H]1CC[C@H]3[C@H]([C@@H]1CC2)CCC13OSNC1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
307.197g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.496g/mol
Monoisotopic Mass:
307.197g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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