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117249-16-8 | L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-4-O-(phenylmethyl)-
CAS No: 117249-16-8 Catalog No: AG000DZK MDL No:MFCD01863607
Product Description
Catalog Number:
AG000DZK
Chemical Name:
L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-4-O-(phenylmethyl)-
CAS Number:
117249-16-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD01863607
IUPAC Name:
(2S,3R,4S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-ol
InChI:
InChI=1S/C13H16O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/t10-,12-,13-/m0/s1
InChI Key:
ZPIBWTYMFFSTBY-DRZSPHRISA-N
SMILES:
C[C@@H]1OC=C[C@@H]([C@H]1OCc1ccccc1)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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