Cas no 16790-33-3 (4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside)

4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside structure
16790-33-3 structure
Product Name:4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside
CAS No:16790-33-3
MF:C18H25NO13
MW:463.390006780624
CID:121893
PubChem ID:11488062
Update Time:2025-09-22

4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • 4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside
    • 4-Nitrophenyl2-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
    • 4-NITROPHENYL 2-O-B-D-GLUCOPYRANOSYL-B-D-GLUCOPYRANOSIDE
    • 4-Nitrophenyl 2-O-β-
    • b-D-Glucopyranoside, 4-nitrophenyl2-O-b-D-glucopyranosyl-
    • 4-Nitrophenyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • p-Nitrophenyl beta-sophoroside
    • P-nitrophenyl-B-D-gentiobioside
    • 4-Nitrophenyl β-D-gentiobioside
    • 4-Nitrophenyl 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside
    • P-NITROPHENYL-GENTIOBIOSIDE
    • Q27463789
    • 16790-33-3
    • WURCS=2.0/2,2,1/[a2122h-1b_1-5_1*O(C^EC^ZC^EC^EC^ZC^E$3)/6NO/9=O][a2122h-1b_1-5]/1-2/a6-b1
    • 4-Nitrophenyl 2-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
    • 4-Nitrophenyl 6-O-Beta-D-Glucopyranosyl-Beta-D-Glucopyranoside
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
    • Inchi: 1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)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: ISCYUJSLZREARS-NNUBVHJDSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 463.13300
  • 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: 612
  • 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
  • Topological Polar Surface Area: 224A^2

Experimental Properties

  • Density: 1.70±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (2.1 g/l) (25 o C),
  • PSA: 224.35000
  • LogP: -2.87910

4-Nitrophenyl 2-O-β-D-Glucopyranosyl-β-D-glucopyranoside Pricemore >>

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