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Rosuvastatin Lactone

CAT: 0024-sc-219993Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-219993Size:10 mg
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CAS Number
503610-43-3

Chemical Information

Rosuvastatin Lactone

Rosuvastatin lactone is a member of pyrimidines.

CAS Number503610-43-3
PubChem CID29918986
IUPAC NameN-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Molecular FormulaC22H26FN3O5S
Molecular Weight463.5
XLogP2.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity779
SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C
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
InChIKey
SOEGVMSNJOCVHT-VEUZHWNKSA-N
Chemical Structure
2D Structure
2D structure of Rosuvastatin Lactone
CAS: 503610-43-3
CID: 29918986
Formula: C22H26FN3O5S
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass463.15772027
Monoisotopic Mass463.15772027
Topological Polar Surface Area118 Ų
Heavy Atom Count32
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FR27761-01Rosuvastatin lactone
HY-138166RRosuvastatin lactone (Standard)
274921-01Ent-rosuvastatin lactone
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166333Rosuvastatin Anhydro Lactone
CS-P-06214Rosuvastatin Lactone d6
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