Cas no 140694-63-9 (4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside)

4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside structure
140694-63-9 structure
Product Name:4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside
CAS No:140694-63-9
MF:C42H65NO33
MW:1111.95241713524
CID:230695
PubChem ID:3083325
Update Time:2025-04-19

4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside Chemical and Physical Properties

Names and Identifiers

    • 4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside
    • (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-6-(4-nitrophenyl)-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
    • alpha-D-Glucopyranoside, 4-nitrophenyl O-beta-D-galactopyranosyl-(1-4)-O-alpha-D-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-
    • LG5PI
    • p-Nitrophenyl 4(5)-O-beta-galactosyl-alpha-maltopentaoside
    • DTXSID40161462
    • 140694-63-9
    • Inchi： 1S/C42H65NO33/c44-5-13-19(49)24(54)29(59)37(67-13)66-10-18-34(72-38-30(60)25(55)20(50)14(6-45)68-38)35(73-39-31(61)26(56)21(51)15(7-46)69-39)36(74-40-32(62)27(57)22(52)16(8-47)70-40)42(75-18,11-1-3-12(4-2-11)43(64)65)76-41-33(63)28(58)23(53)17(9-48)71-41/h1-4,13-41,44-63H,5-10H2/t13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42-/m1/s1
    • InChI Key： PCADUOFTAUWLRD-OQPKCWLPSA-N
    • SMILES： O1[C@H](CO[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)[C@H]([C@@H]([C@H]([C@@]1(C1C=CC(=CC=1)[N+](=O)[O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 1111.344
  • Monoisotopic Mass: 1111.344
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 20
  • Hydrogen Bond Acceptor Count: 33
  • Heavy Atom Count: 76
  • Rotatable Bond Count: 17
  • Complexity: 1820
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 30
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -10
  • Topological Polar Surface Area: 552?2

Experimental Properties

  • Density: 1.86
  • Boiling Point: 1353.2°Cat760mmHg
  • Flash Point: 772.2°C

4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside Related Literature

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