Cas no 700368-52-1 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol)

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol structure
700368-52-1 structure
Product Name:(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol
CAS No:700368-52-1
MF:C13H17NO8
MW:315.275984525681
CID:1740983
PubChem ID:129859038
Update Time:2025-04-21

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol Chemical and Physical Properties

Names and Identifiers

    • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol
    • (4-Nitrophenyl)methyl-beta-D-glucopyranoside
    • Β-D-GLUCOPYRANOSIDE, (4-NITROPHENYL)METHYL
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]oxane-3,4,5-triol
    • 700368-52-1
    • EN300-37086471
    • (4-Nitrophenyl)methyl-b-D-glucopyranoside
    • p-nitrobenzyl beta-d-glucopyranoside
    • Inchi: 1S/C13H17NO8/c15-5-9-10(16)11(17)12(18)13(22-9)21-6-7-1-3-8(4-2-7)14(19)20/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
    • InChI Key: WDXXNSLGRCTMAE-UJPOAAIJSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OCC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 315.09541650g/mol
  • Monoisotopic Mass: 315.09541650g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 368
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.9
  • Topological Polar Surface Area: 145?2

Experimental Properties

  • Density: 1.55
  • PSA: 145.20000
  • LogP: -0.56550

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr Ahydropyran-3,4,5-triol Pricemore >>

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