CAS No.503610-43-3,N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	503610-43-3
Name:	N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide
Article Data:	17

Formula:	C₂₂H₂₆FN₃O₅S
Molecular Weight:	463.53
Synonyms:	N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N;N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]vinyl]-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide;
Density:	1.387 g/cm³
Melting Point:	131 °C
Boiling Point:	694.955 °C at 760 mmHg
Flash Point:	374.095 °C
PSA:	118.07000
LogP:	3.96240

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Specification

The CAS register number of Rosuvastatin-5S-lactone is 503610-43-3. It also can be called as N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide and the systematic name about this chemical is N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]vinyl]-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide. The molecular formula about this chemical is C₂₂H₂₆FN₃O₅S and the molecular weight is 463.52.

Physical properties about Rosuvastatin-5S-lactone are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.202; (3)ACD/LogD (pH 7.4): 1.202; (4)ACD/BCF (pH 5.5): 4.827; (5)ACD/BCF (pH 7.4): 4.827; (6)ACD/KOC (pH 5.5): 107.398; (7)ACD/KOC (pH 7.4): 107.398; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 118.07Å²; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 116.613 cm³; (14)Molar Volume: 334.137 cm³; (15)Polarizability: 46.229x10^-24cm³; (16)Surface Tension: 65.863 dyne/cm; (17)Enthalpy of Vaporization: 106.901 kJ/mol; (18)Boiling Point: 694.955 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@H](CC(=O)O3)O
(2)InChI: InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
(3)InChIKey: SOEGVMSNJOCVHT-VEUZHWNKBG
(4)Std. InChI: InChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
(5)Std. InChIKey: SOEGVMSNJOCVHT-VEUZHWNKSA-N