Cas no 22435-09-2 (b-D-Xylopyranose, tetrabenzoate(9CI))

b-D-Xylopyranose, tetrabenzoate(9CI) structure
22435-09-2 structure
Product Name:b-D-Xylopyranose, tetrabenzoate(9CI)
CAS No:22435-09-2
MF:C33H26O9
MW:566.554150104523
CID:271886
PubChem ID:266058
Update Time:2025-04-19

b-D-Xylopyranose, tetrabenzoate(9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Xylopyranose, tetrabenzoate(9CI)
    • (4,5,6-tribenzoyloxyoxan-3-yl) benzoate
    • D-xylopyranose tetrabenzoate
    • 30319-42-7
    • .alpha.-d-Arabinose tetrabenzoate
    • 30319-46-1
    • NSC-400283
    • YHLULIUXPPJCPL-UHFFFAOYSA-N
    • NSC103065
    • NSC400283
    • NSC-400282
    • DTXSID80945122
    • 7473-44-1
    • NSC400296
    • beta-L-Arabinopyranose tetrabenzoate
    • NSC-400296
    • 1,2,3,4-Tetra-O-benzoylpentopyranose #
    • NSC112446
    • NSC-103065
    • beta-d-Ribopyranose tetrabenzoate
    • NSC-112446
    • 1,2,3,4-Tetra-O-benzoylpentopyranose
    • NSC-125614
    • NSC-231865
    • 7473-43-0
    • SCHEMBL3089443
    • NSC400282
    • NSC231865
    • 22435-09-2
    • NSC125614
    • 7702-27-4
    • 22434-99-7
    • Inchi: 1S/C33H26O9/c34-29(22-13-5-1-6-14-22)39-26-21-38-33(42-32(37)25-19-11-4-12-20-25)28(41-31(36)24-17-9-3-10-18-24)27(26)40-30(35)23-15-7-2-8-16-23/h1-20,26-28,33H,21H2
    • InChI Key: YHLULIUXPPJCPL-UHFFFAOYSA-N
    • SMILES: O1CC(C(C(C1OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 566.15800
  • Monoisotopic Mass: 566.158
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 12
  • Complexity: 911
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 702.1°C at 760 mmHg
  • Flash Point: 294°C
  • Refractive Index: 1.639
  • PSA: 114.43000
  • LogP: 4.87650
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