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18933-67-0 | α-D-ribo-Hexopyranoside, methyl 6-bromo-2,6-dideoxy-, dibenzoate (9CI)
CAS No: 18933-67-0 Catalog No: AG002IBK MDL No:
Product Description
Catalog Number:
AG002IBK
Chemical Name:
α-D-ribo-Hexopyranoside, methyl 6-bromo-2,6-dideoxy-, dibenzoate (9CI)
CAS Number:
18933-67-0
Molecular Formula:
C21H21BrO6
Molecular Weight:
449.2918
IUPAC Name:
[3-benzoyloxy-2-(bromomethyl)-6-methoxyoxan-4-yl] benzoate
InChI:
InChI=1S/C21H21BrO6/c1-25-18-12-16(27-20(23)14-8-4-2-5-9-14)19(17(13-22)26-18)28-21(24)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3
InChI Key:
VSTJWUMERKEGGP-UHFFFAOYSA-N
SMILES:
CO[C@H]1O[C@H](CBr)[C@H]([C@H](C1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
NSC Number:
287054
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.052g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.297g/mol
Monoisotopic Mass:
448.052g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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