C1CC2(CC1CI)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4
CAS: 868670-98-8
Name: (2S,3S,8S)-8-(iodomethyl)-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane
SMILES: C1CC2(CC1CI)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Molecular Processing

Molecular formula
C20H21IO2
Molecular weight
420.29
Exact mass
420.0586
XLogP
5.45
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
99.5

Supplementary Information

InChIKey: GEEKTQZZTHWEIM-SNRMKQJTSA-N
Synonyms
868670-98-8(2S,3S,7S)-7-(Iodomethyl)-2,3-diphenyl-1,4-dioxaspiro[4.4]nonaneSCHEMBL2659801DTXSID70737371GEEKTQZZTHWEIM-SNRMKQJTSA-N7(S)-iodomethyl-2(S),3(S)-diphenyl-1,4-dioxaspiro[4,4]nonane
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