Lasofoxifene tartrate (190791-29-8)

The Lasofoxifene tartrate, with its CAS registry number 190791-29-8, has the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol. And its systematic name is 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt).

The physical properties of this chemical are as below: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 45.37; (6)ACD/BCF (pH 7.4): 356.49; (7)ACD/KOC (pH 5.5): 72.09; (8)ACD/KOC (pH 7.4): 566.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7; (13)Flash Point: 300 °C; (14)Enthalpy of Vaporization: 89 kJ/mol; (15)Boiling Point: 572.4 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-13 mmHg at 25°C; (17)Exact Mass: 563.251917; (18)MonoIsotopic Mass: 563.251917; (19)Topological Polar Surface Area: 148; (20)Heavy Atom Count: 41; (21)Complexity: 667.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3C(CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)O
(2)Isomeric SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
(3)InChI: InChI=1S/C28H31NO2.C4H6O6/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;5-1(3(7)8)2(6)4(9)10/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1-2,5-6H,(H,7,8)(H,9,10)/t26-,28+;1-,2-/m11/s1
(4)InChIKey: INEHJXCWEVNEDZ-JSWINTLJSA-N