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  • beta-D-Ribofuranose,2,3,5-tribenzoate
Name:beta-D-Ribofuranose,2,3,5-tribenzoate
CAS No:67525-66-0

PRODUCT DESCRIPTION

【Name】
beta-D-Ribofuranose,2,3,5-tribenzoate
【Iupac name】
(3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl)methyl benzoate
【CAS Registry number】
67525-66-0
【Synonyms】
NSC18736
[4-(Benzoyloxy)-2-(benzoyloxymethyl)-5-hydroxyoxolan-3-yl] benzoate
2,3,5-Tri-O-benzoyl-beta-D-ribose
【Molecular Formula】
C26H22O8 (Products with the same molecular formula)
【Molecular Weight】
462.45
【Inchi】
InChI=1/C26H22O8/c27-23(17-10-4-1-5-11-17)31-16-20-21(33-24(28)18-12-6-2-7-13-18)22(26(30)32-20)34-25(29)19-14-8-3-9-15-19/h1-15,20-22,26,30H,16H2
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
【MOL File】
67525-66-0.mol

Chemical and Physical Properties

【Appearance】
Yellow solid
【Density】
1.37 g/cm3
【Melting Point】
189-192°C
【Boiling Point】
619.8 ºC at 760 mmHg
【Refractive Index】
1.633
【Flash Point】
209.2 ºC
【Computed Properties】
Molecular Weight:462.44808 [g/mol]
Molecular Formula:C26H22O8
XLogP3-AA:4.2
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:10
Exact Mass:462.131468
MonoIsotopic Mass:462.131468
Topological Polar Surface Area:108
Heavy Atom Count:34
Formal Charge:0
Complexity:691
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Ring Count:4
Effective Rotor Count:11
Conformer Sampling RMSD:1
CID Conformer Count:309

Safety and Handling

【Specification】

  beta-D-Ribofuranose,2,3,5-tribenzoate , its cas register number 67525-66-0. It also can be called 2,3,5-Tri-O-benzoylpentofuranose ; 2,3,5-Tris-O-(phenylcarbonyl)pentofuranose ; 2-[(Benzoyloxy)methyl]-5-hydroxytetrahydrofuran-3,4-diyl dibenzoate ; and Pentofuranose, 2,3,5-tribenzoate .

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