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868670-98-8 | 1,4-Dioxaspiro[4.4]nonane, 7-(iodomethyl)-2,3-diphenyl-, (2S,3S,7S)-
CAS No: 868670-98-8 Catalog No: AG004PIX MDL No:
Product Description
Catalog Number:
AG004PIX
Chemical Name:
1,4-Dioxaspiro[4.4]nonane, 7-(iodomethyl)-2,3-diphenyl-, (2S,3S,7S)-
CAS Number:
868670-98-8
Molecular Formula:
C20H21IO2
Molecular Weight:
420.2840
IUPAC Name:
(2S,3S,8S)-8-(iodomethyl)-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C20H21IO2/c21-14-15-11-12-20(13-15)22-18(16-7-3-1-4-8-16)19(23-20)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2/t15-,18-,19-/m0/s1
InChI Key:
GEEKTQZZTHWEIM-SNRMKQJTSA-N
SMILES:
IC[C@H]1CCC2(C1)O[C@H]([C@@H](O2)c1ccccc1)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
420.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.29g/mol
Monoisotopic Mass:
420.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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