Cas no 157758-69-5 (a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI))

a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI) structure
157758-69-5 structure
Product Name:a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI)
CAS No:157758-69-5
MF:C20H37Na2O14P
MW:578.452690839767
CID:232296
PubChem ID:190889
Update Time:2025-04-19

a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI)
    • {5b-[(2,3-dimethylbutanoyl)oxy]-9a-(dodecanoyloxy)-5,5a-dihydroxy-1,1,6a,8-tetramethyl-10-oxo-1a,2,5,5a,5b,6a,7,8,9,9a-decahydro-1h-2,7a-methanocyclopropa[5',6']cyclodeca[1',2':3,4]cyclopenta[1,2-b]ox
    • disodium octyl 2-O-(6-O-phosphonato-alpha-D-mannopyranosyl)-alpha-D-mannopyranoside
    • Octyl 2-O-(mannopyranosyl-6-phosphate)mannopyranoside
    • Octyl 2-O-pman-man
    • Disodium octyl 2-O-(6-O-phosphonatohexopyranosyl)hexopyranoside
    • DTXSID90935796
    • 157758-69-5
    • disodium;[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl phosphate
    • Inchi： 1S/C20H39O14P.2Na/c1-2-3-4-5-6-7-8-30-20-18(16(25)13(22)11(9-21)32-20)34-19-17(26)15(24)14(23)12(33-19)10-31-35(27,28)29;;/h11-26H,2-10H2,1H3,(H2,27,28,29);;/q;2*+1/p-2/t11-,12-,13-,14-,15+,16+,17+,18+,19-,20+;;/m1../s1
    • InChI Key： LYZXIKNZJGBZJC-GDSMGQCOSA-L
    • SMILES： P(=O)([O-])([O-])OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]1[C@@H](OCCCCCCCC)O[C@H](CO)[C@H]([C@@H]1O)O)O)O)O.[Na+].[Na+]

Computed Properties

  • Exact Mass: 578.171632
  • Monoisotopic Mass: 578.171632
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 13
  • Complexity: 638
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 231

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 772.6°Cat760mmHg
  • Flash Point: 421°C

a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI) Related Literature

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157758-69-5 (a-D-Mannopyranoside, octyl2-O-(6-O-phosphono-a-D-mannopyranosyl)-, disodium salt (9CI)) Related Products

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