Cas no 55353-32-7 (D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)-)

D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)- structure
55353-32-7 structure
Product Name:D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)-
CAS No:55353-32-7
MF:C18H23N5O9
MW:453.403324365616
CID:378706
PubChem ID:171438
Update Time:2025-04-19

D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)- Chemical and Physical Properties

Names and Identifiers

    • D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)-
    • (11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-10-O-methyl-7-deoxy-α-L-ido-D-lyxo-5-undecoulo-5,9-pyranosonic acid methyl ester
    • D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-
    • Herbicidin B
    • methyl (1S,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
    • 55353-32-7
    • Herbicidine B
    • 9-(6,10-Anhydro-5-deoxy-11-methyl-2-O-methylundec-7-ulopyranosefuranosyluronosyl)-9H-purin-6-amine
    • CHEMBL3109449
    • DTXSID20970695
    • 8'-epi-herbicidin B
    • 8'-epimer of herbicidin B
    • Inchi： 1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10+,11+,12-,13+,16-,18-/m1/s1
    • InChI Key： GZBSICLBZYSADI-DHNWSQMASA-N
    • SMILES： O1[C@]2([C@H]([C@@H]([C@@H](C(=O)OC)O[C@@H]2C[C@@H]2[C@H]1[C@H]([C@H](N1C=NC3C(N)=NC=NC1=3)O2)OC)O)O)O

Computed Properties

  • Exact Mass: 453.14957733g/mol
  • Monoisotopic Mass: 453.14957733g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 735
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.3
  • Topological Polar Surface Area: 194?2

D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)- Related Literature

Related Categories

55353-32-7 (D-arabino-a-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methylester, (7S)-) Related Products

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