Cas no 76149-63-8 (a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate))

a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate) structure
76149-63-8 structure
Product Name:a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate)
CAS No:76149-63-8
MF:C12H21NO20S3
MW:595.484842061996
CID:561031
PubChem ID:9812414
Update Time:2025-04-19

a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate) Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate)
    • Heparin derived Disaccharide MW600 Da
    • HEPARIN DERIVED DISACCHARIDE
    • IdoA2S(a1-4)a-GlcNS6S
    • 76149-63-8
    • WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
    • CHEBI:151315
    • 2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-6-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranose
    • (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
    • 363148-40-7
    • DTXSID10908043
    • alpha-D-Glucopyranose, 2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-, 6-(hydrogen sulfate)
    • SCHEMBL4593793
    • Heparinsodiumsalt
    • Inchi： 1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,5+,6+,7-,8-,9-,11+,12-/m1/s1
    • InChI Key： OHJKXVLJWUPWQG-PNRHKHKDSA-N
    • SMILES： S(N[C@H]1[C@@H](O)O[C@H](COS(=O)(=O)O)[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O1)O)O)OS(=O)(=O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 594.98190558g/mol
  • Monoisotopic Mass: 594.98190558g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 10
  • Complexity: 1090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6
  • Topological Polar Surface Area: 365?2

Experimental Properties

  • Density: 2.23±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.4 g/l) (25 o C),
  • PSA: 355.74000
  • LogP: -3.82540

a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate) Related Literature

76149-63-8 (a-D-Glucopyranose,2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-a-L-idopyranuronosyl)-, 6-(hydrogen sulfate)) Related Products

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