Cas no 31208-93-2 (a-D-Glucopyranoside, 2-nitrophenyl4-O-a-D-glucopyranosyl-)

a-D-Glucopyranoside, 2-nitrophenyl4-O-a-D-glucopyranosyl- structure
31208-93-2 structure
Product Name:a-D-Glucopyranoside, 2-nitrophenyl4-O-a-D-glucopyranosyl-
CAS No:31208-93-2
MF:C18H25NO13
MW:463.390006780624
CID:311463
PubChem ID:3082322
Update Time:2025-04-19

a-D-Glucopyranoside, 2-nitrophenyl4-O-a-D-glucopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside, 2-nitrophenyl4-O-a-D-glucopyranosyl-
    • alpha-D-Glucopyranoside, 2-nitrophenyl 4-O-alpha-D-glucopyranosyl-
    • (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Glucopyranoside,o-nitrophenyl 4-O-a-D-glucopyranosyl-, a-D- (8CI)
    • Maltoside, o-nitrophenyl (7CI)
    • a-Maltoside, o-nitrophenyl (6CI)
    • 2-Nitrophenyl-a-D-maltoside
    • o-Nitrophenyl-a-maltoside
    • 2-Nitrophenylmaltoside
    • ortho-Nitrophenylmaltoside
    • DTXSID70185136
    • 31208-93-2
    • Inchi： 1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-4-2-1-3-7(8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1
    • InChI Key： CYCLRDYAFVRUDE-LTHBGAKLSA-N
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)OC1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 463.133
  • Monoisotopic Mass: 463.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 620
  • 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: -2.6
  • Topological Polar Surface Area: 224?2

Experimental Properties

  • Density: 1.7
  • Boiling Point: 787.5°C at 760 mmHg
  • Flash Point: 430.1°C
  • Refractive Index: 1.67

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