Cas no 3493-13-8 (5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide)

5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide structure
3493-13-8 structure
Product Name:5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide
CAS No:3493-13-8
MF:C15H23IN6O5S
MW:526.349793672562
MDL:MFCD00043192
CID:312127
PubChem ID:24890852
Update Time:2024-11-08

5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide Chemical and Physical Properties

Names and Identifiers

    • 5'-[[(3S)-3-Amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-Adenosine iodide
    • Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-, iodide (1:1)
    • ADENOSYL-L-METHIONINE IODIDE, S-(RG)
    • S-ADENOSYL-L-METHIONINE IODIDE
    • S-ADENOSYL-L-METHIONINE IODIDE SALT
    • adomet
    • AdoMet,SAM
    • S-(5'-ADENOSYL)-L-METHIONINE IODIDE
    • S-(5'-deoxy-5'-adenosyl)methionine iodide
    • S-ADENOSYL METHIONINE IODIDE SALT
    • S-adenosylmethione
    • S-adenosylmethionine
    • S-ADENOSYLMETHIONINE IODIDE
    • SAM iodide salt
    • SAM-E IODIDE SALT
    • SAM
    • S-(5′-Adenosyl)-L-methionine iodide
    • 3493-13-8
    • ((S)-3-amino-3-carboxypropyl)(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)sulfonium iodide
    • [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;iodide
    • SCHEMBL6515296
    • S-Adenosyl-L-methionine (iodide)
    • CS-0182663
    • J-019806
    • S-Adenosyl methionine iodide; Ademetionine iodide; AdoMet iodide
    • HY-14614D
    • 5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide
    • MDL： MFCD00043192
    • Inchi： InChI=1S/C15H22N6O5S.HI/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1
    • InChI Key： XQMWYLXPEGFCFT-XKGORWRGSA-N
    • SMILES： C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N)N=CN=C32)O1)O)O.I

Computed Properties

  • Exact Mass: 526.05000
  • Monoisotopic Mass: 526.04954g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 533
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • Topological Polar Surface Area: 183

Experimental Properties

  • Color/Form: Powder
  • Solubility: H2O: 100?mg/mL
  • PSA: 207.93000
  • LogP: -3.63670
  • Solubility: Very soluble in water.

5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H317
  • Warning Statement： P280
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S22; S24/25
  • FLUKA BRAND F CODES：8-10-23
  • Hazardous Material Identification： Xi
  • Storage Condition：?20°C

5'-(3S)-3-Amino-3-carboxypropylmethylsulfonio-5'-deoxy-Adenosine iodide Pricemore >>

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