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17401-06-8 | 2,3-Butanediol, 1,4-bis(phenylmethoxy)-, (2S,3S)-
CAS No: 17401-06-8 Catalog No: AG001ZDS MDL No:MFCD00077723
Product Description
Catalog Number:
AG001ZDS
Chemical Name:
2,3-Butanediol, 1,4-bis(phenylmethoxy)-, (2S,3S)-
CAS Number:
17401-06-8
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
MDL Number:
MFCD00077723
IUPAC Name:
(2S,3S)-1,4-bis(phenylmethoxy)butane-2,3-diol
InChI:
InChI=1S/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m0/s1
InChI Key:
YAVAVQDYJARRAU-ROUUACIJSA-N
SMILES:
O[C@H]([C@H](COCc1ccccc1)O)COCc1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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