Cas no 3368-87-4 (Vallesamine)

Vallesamine structure
Vallesamine structure
Product Name:Vallesamine
CAS No:3368-87-4
MF:C20H24N2O3
MW:340.416165351868
MDL:MFCD32672587
CID:319095
PubChem ID:13783712
Update Time:2025-04-19

Vallesamine Chemical and Physical Properties

Names and Identifiers

    • 19,20-(E)-Vallesamine
    • 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,(2R,
    • 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,(2R,4E,5S,6S)-
    • Methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0<sup>3,11</sup>.0<sup>4,9</sup>]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
    • 19-Formylgeldanamycin N-morpholinoimine
    • 19-Formylgeldanamycin-N-aminomorpholine adduct
    • geldanaldehyde morpholin-4-ylimine
    • [ "" ]
    • Vallesamine
    • AKOS040760956
    • 3368-87-4
    • methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
    • CHEMBL5177009
    • FS-9766
    • DTXSID601318157
    • methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0^{3,11.0^{4,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
    • (+)-Vallesamine
    • Vallesamine; Z-Isomer
    • DA-59905
    • (5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-2alpha,5-ethano-2H-azocino[4,3-b]indole-6beta-carboxylic acid methyl ester
    • MDL: MFCD32672587
    • Inchi: 1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
    • InChI Key: JZKSIYFJGCTTET-WBUQUAQWSA-N
    • SMILES: OC[C@@]1(C(=O)OC)C2=C(C3C=CC=CC=3N2)CN2C/C(=C/C)/[C@@H]1CC2

Computed Properties

  • Exact Mass: 340.17900
  • Monoisotopic Mass: 340.17869263g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 563
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.6
  • XLogP3: 1.3

Experimental Properties

  • Color/Form: Powder
  • PSA: 65.56000
  • LogP: 2.29070

Vallesamine Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Vallesamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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