Cas no 114883-29-3 (6’-Hydroxymethyl Simvastatin)

6’-Hydroxymethyl Simvastatin structure
6’-Hydroxymethyl Simvastatin structure
Product Name:6’-Hydroxymethyl Simvastatin
CAS No:114883-29-3
MF:C25H38O6
MW:434.565628528595
CID:1059760
PubChem ID:14373163
Update Time:2025-04-20

6’-Hydroxymethyl Simvastatin Chemical and Physical Properties

Names and Identifiers

    • 6’-Hydroxymethyl Simvastatin
    • 6’-HYDROXYCARBOXY SIMVASTATIN
    • 6’-Hydroxymethyl Simvastatin
    • 6'-HYDROXYMETHYL SIMVASTATIN
    • 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin
    • 6(R)-[2-[8(S)-(2,2-Dimethylbutyryloxy)-6(R)-hydroxymethyl-2(S)-methyl-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one
    • 6(R)-<2-<4a(S)-Hydroxy-8(S)-((2,2-dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,4a,5,6,7,8,8a(S)-octahydronaphth-1(S)-yl>ethyl>-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one
    • 6`-Hydrox
    • 6'-Hydroxysimvastatin
    • 2,2-DiMethylbutanoic Acid [1S-[1α,3α,7α,8β(2S*,4S*),8aβ]]-1,2,3,7,8,8a -hexahydro-3-(hydroxyMethyl)-7-Methyl-8-[2-(tetrahydro-4-hydroxy -6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl Ester
    • CHEMBL3544664
    • [(1S,3R,7S,8S,8aR)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    • Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3-(hydroxymethyl)-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1alpha,3alpha,7alpha,8beta(2S*,4S*),8abeta]]- (9CI)
    • J-005577
    • 114883-29-3
    • 128241-03-2
    • (1R,3R,7S,8S)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    • SCHEMBL8013553
    • Inchi： 1S/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
    • InChI Key： ATPFRGQBOVFFQM-HGQWONQESA-N
    • SMILES： O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)O)[C@@H]12

Computed Properties

  • Exact Mass: 434.26700
  • Monoisotopic Mass: 434.26683893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 724
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • Melting Point: 77-80°C
  • PSA: 93.06000
  • LogP: 3.55800

6’-Hydroxymethyl Simvastatin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
H948355-1mg
6’-Hydroxymethyl Simvastatin
 114883-29-3
1mg
 $ 164.00 2023-09-07
TRC
H948355-2.5mg
6’-Hydroxymethyl Simvastatin
 114883-29-3
2.5mg
 $ 276.00 2023-09-07
TRC
H948355-5mg
6’-Hydroxymethyl Simvastatin
 114883-29-3
5mg
 $506.00 2023-05-18
TRC
H948355-10mg
6’-Hydroxymethyl Simvastatin
 114883-29-3
10mg
 $965.00 2023-05-18
TRC
H948355-25mg
6’-Hydroxymethyl Simvastatin
 114883-29-3
25mg
 $2268.00 2023-05-18

6’-Hydroxymethyl Simvastatin Production Method

6’-Hydroxymethyl Simvastatin Related Literature

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