Cas no 47185-09-1 ((2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol)

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol structure
47185-09-1 structure
Product Name:(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No:47185-09-1
MF:C12H22O11
MW:342.296485424042
CID:6791435
Update Time:2024-08-01

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Chemical and Physical Properties

Names and Identifiers

    • (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Inchi: 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
    • InChI Key: CZMRCDWAGMRECN-UGDNZRGBSA-N
    • SMILES: O1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@]1(CO)[C@@H](O)[C@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 342.116
  • Monoisotopic Mass: 342.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _3.7
  • Topological Polar Surface Area: 190A^2

Experimental Properties

  • Color/Form: White crystals or powder
  • Density: 1.5805
  • Melting Point: 190-192℃
  • Boiling Point: 320 to 367° F (decomposes) (NTP, 1992)
  • Flash Point: 697.1 °C at 760 mmHg
  • Refractive Index: 66.5 ° (C=26, H2O)
  • PSA: 189.53000
  • LogP: -5.39560
  • Specific Rotation: 67 o (C=26, IN WATER 25 oC)

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Security Information

  • Storage Condition:Store in cold storage.
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