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29388-59-8

29388-59-8 | 1,4-Butanediol, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (2R,3R)-

CAS No: 29388-59-8 Catalog No: AG002Y87 MDL No:

Product Description

Catalog Number:
AG002Y87
Chemical Name:
1,4-Butanediol, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (2R,3R)-
CAS Number:
29388-59-8
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
InChI:
InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChI Key:
PUETUDUXMCLALY-HOTGVXAUSA-N
SMILES:
OC[C@@H]([C@@H](Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O
EC Number:
249-599-2
UNII:
M8QRJ7JEJH

Properties

Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
362.173g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.173g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

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