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(2S,5S)-1-{2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethyl-1??-phospholan-1-one

(2S,5S)-1-{2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethyl-1??-phospholan-1-one

CAS: 1380079-15-1

Formula: C18H28OP2

SMILES: C[C@H]1CC[C@H](C)P1C1=CC=CC=C1P1(=O)[C@@H](C)CC[C@@H]1C

IUPAC: (2S,5S)-1-{2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethyl-1??-phospholan-1-one

InChI: InChI=1S/C18H28OP2/c1-13-9-10-14(2)20(13)17-7-5-6-8-18(17)21(19)15(3)11-12-16(21)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m0/s1

Composition: C (67.07%), H (8.76%), O (4.96%), P (19.22%)

Molar Mass: 322.369

Atom Count: 49

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 322.161539518
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ORZVYNTUPREFTI-VGWMRTNUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.23
Topological Polar Surface Area 17.07
Polarizability 36.95
Ring Count 3
Rotatable Bond Count 2

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