Cas no 98296-22-1 ([8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)-)

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)- structure
98296-22-1 structure
Product Name:[8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)-
CAS No:98296-22-1
MF:C28H19NO11
MW:545.450568437576
CID:808792
PubChem ID:127078
Update Time:2025-04-19

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)- Chemical and Physical Properties

Names and Identifiers

    • [8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)-
    • [(3R,4R,5R)-2-[5-(4-bromo-2,3-dioxobutyl)sulfanyl-9H-imidazo[2,1-f]purin-6-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
    • plastatin
    • (8,8'-Bi-1H-Naphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone, 7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (R-(R*,R*))-
    • 98296-22-1
    • DTXSID60913344
    • [(3R,4R,5R)-2-[5-(4-Bromo-2,3-dioxobutyl)sulfanyl-1H-imidazo[2,1-f]purin-3-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
    • 5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphonopentofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium
    • Inchi： 1S/C28H19NO11/c1-7-3-9-5-11-15(22(32)13(9)27(37)39-7)24(34)17(19(29)20(11)30)18-25(35)16-12(21(31)26(18)36)6-10-4-8(2)40-28(38)14(10)23(16)33/h5-8,32-33,36H,3-4,29H2,1-2H3
    • InChI Key： FBVDOBIWCXMUOD-UHFFFAOYSA-N
    • SMILES： O=C1C2C(=CC3=C(C=2O)C(=O)C(C2=C(N)C(=O)C4C(=C(C5=C(C=4)CC(C)OC5=O)O)C2=O)=C(O)C3=O)CC(C)O1

Computed Properties

  • Exact Mass: 645.940952
  • Monoisotopic Mass: 645.940952
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 11
  • Complexity: 974
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 1
  • Tautomer Count: 12
  • XLogP3: -2.2
  • Topological Polar Surface Area: 273

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 292.64000
  • LogP: -1.03120

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)- Related Literature

Related Categories

98296-22-1 ([8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone,7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (3R,3'R)-) Related Products

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