D-Ribitol,1,4-anhyd...

D-Ribitol,1,4-anhydro-1-C-[2,4-bis(phenylmethoxy)phenyl]-, (S)- (9CI)(CAS No. 55583-07-8)

D-Ribitol,1,4-anhydro-1-C-[2,4-bis(phenylmethoxy)phenyl]-, (S)- (9CI)(CAS No. 55583-07-8)

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D-Ribitol,1,4-anhydro-1-C-[2,4-bis(phenylmethoxy)phenyl]-, (S)- (9CI) 55583-07-8 98%

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  • Appearance:Solid
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Details:

【Name】
D-Ribitol,1,4-anhydro-1-C-[2,4-bis(phenylmethoxy)phenyl]-, (S)- (9CI)
【Iupac name】
2-[2,4-bis(phenylmethoxy)phenyl]-5-(hydroxymethyl)oxolane-3,4-diol
【CAS Registry number】
55583-07-8
【Synonyms】
4-(b-D-Ribofuranosyl)-1,3-dibenzyloxybenzene
NSC 280603
【Molecular Formula】
C25H26 O6 (Products with the same molecular formula)
【Molecular Weight】
422.4703
【Inchi】
InChI=1/C25H26O6/c26-14-22-23(27)24(28)25(31-22)20-12-11-19(29-15-17-7-3-1-4-8-17)13-21(20)30-16-18-9-5-2-6-10-18/h1-13,22-28H,14-16H2
【Canonical SMILES】
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3C(C(C(O3)CO)O)O)OCC4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.296g/cm3
【Boiling Point】
649.1°C at 760 mmHg
【Refractive Index】
1.631
【Flash Point】
346.4°C
【Computed Properties】
Molecular Weight:422.47034 [g/mol]
Molecular Formula:C25H26O6
XLogP3-AA:3
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:8
Exact Mass:422.172939
MonoIsotopic Mass:422.172939
Topological Polar Surface Area:88.4
Heavy Atom Count:31
Formal Charge:0
Complexity:518
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:6
Feature 3D Donor Count:3
Feature 3D Ring Count:4
Effective Rotor Count:9
Conformer Sampling RMSD:1.2
CID Conformer Count:161

 

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