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3Alpha-Hydroxy Pravastatin Lactone-d3

CAT: 0572-TRC-H952302-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H952302-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329809-35-9
Synonyms
3α-iso-Pravastatin-d3; (2S)-2-(Methyl-d3)butanoic Acid (1S,6S,7R,8S,8aR)-1,2,6,7,8, 8a-Hexahydro-6-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester; SQ 31906 Lactone-d3;
Hazard Statement
No Data Available
Smiles
O=C(C(C([2H])([2H])[2H])CC)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O3)C[C@@H](O)CC3=O)[C@]21[H]
Molecular Formula
C23H31D3O6
Molecular Weight
409.53
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3alpha-Hydroxy Pravastatin Lactone-d3
CAS Number1329809-35-9
PubChem CID169442122
IUPAC Name[(1S,6S,7R,8S,8aR)-6-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-(trideuteriomethyl)butanoate
Molecular FormulaC23H34O6
Molecular Weight409.5
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity668
SMILES
[2H]C([2H])([2H])C(CC)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O
InChI
InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-7-5-6-15-10-19(25)14(3)18(22(15)20)9-8-17-11-16(24)12-21(26)28-17/h5-6,10,13-14,16-20,22,24-25H,4,7-9,11-12H2,1-3H3/t13?,14-,16-,17-,18+,19-,20+,22+/m1/s1/i2D3
InChIKey
JCXABYACWXHFQQ-JZMPFTGZSA-N
Chemical Structure
2D Structure
2D structure of 3alpha-Hydroxy Pravastatin Lactone-d3
CAS: 1329809-35-9
CID: 169442122
Formula: C23H34O6
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass409.25436904
Monoisotopic Mass409.25436904
Topological Polar Surface Area93.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity668
Isotope Atom Count3
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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