Cas no 16033-31-1 (Neoagarotetraose)

Neoagarotetraose structure
Neoagarotetraose structure
Product Name:Neoagarotetraose
CAS No:16033-31-1
MF:C24H38O19
MW:630.54713010788
CID:144489
PubChem ID:130476782
Update Time:2024-11-01

Neoagarotetraose Chemical and Physical Properties

Names and Identifiers

    • NEOAGAROTETRAOSE
    • 3)-O-b-D-galactopyranosyl-(1&reg
    • 4)-O-3,6-anhydro-a-L-galactopyranosyl-(1&reg
    • D-Galactopyranose, O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-
    • O-3,6-Anhydro-alpha-L-galactopyranosyl(1-3)-O-beta-D-galactopyranosyl(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl(1-3)-D-galactose
    • O-3,6-Anhydro-alpha-L-galactopyranosyl-(1→3)-O-beta-D-galactopyranosyl-(1→4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1→3)-D-galactose
    • (2S,3R,4S,5R,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R,8R)-4,8-Dihydroxy-2,6-dio
    • 16033-31-1
    • (2S,3R,4S,5R,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol
    • (2R,3S,4S,5R)-3-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal
    • Neoagarotetraose
    • Inchi: 1S/C24H38O19/c25-1-5-9(27)18(12(30)21(34)37-5)42-24-15(33)20-16(8(40-24)4-36-20)41-23-14(32)19(10(28)6(2-26)38-23)43-22-13(31)17-11(29)7(39-22)3-35-17/h5-34H,1-4H2/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14-,15+,16-,17-,18+,19+,20+,21+,22+,23+,24+/m1/s1
    • InChI Key: XASQSRDYYCWSME-NWCCWNDLSA-N
    • SMILES: O1C[C@H]2[C@H]([C@@H]1[C@@H]([C@H](O[C@@H]1[C@H]([C@@H](O)O[C@H](CO)[C@H]1O)O)O2)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]1[C@H]([C@H]2[C@@H]([C@H](CO2)O1)O)O)O

Computed Properties

  • Exact Mass: 630.20072898g/mol
  • Monoisotopic Mass: 630.20072898g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 946
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 285
  • XLogP3: -6.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.76±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 1032.1±65.0 °C at 760 mmHg
  • Flash Point: 578.0±34.3 °C
  • Solubility: Slightly soluble (6.3 g/l) (25 o C),
  • Vapor Pressure: No data available

Neoagarotetraose Security Information

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