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130874-89-4 | 2,3-Butanediol, 1,4-dimethoxy-1,1,4,4-tetraphenyl-, (2R,3R)-
CAS No: 130874-89-4 Catalog No: AG000V1K MDL No:
Product Description
Catalog Number:
AG000V1K
Chemical Name:
2,3-Butanediol, 1,4-dimethoxy-1,1,4,4-tetraphenyl-, (2R,3R)-
CAS Number:
130874-89-4
Molecular Formula:
C30H30O4
Molecular Weight:
454.5568
IUPAC Name:
(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol
InChI:
InChI=1S/C30H30O4/c1-33-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(31)28(32)30(34-2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,31-32H,1-2H3/t27-,28-/m1/s1
InChI Key:
AXJXOZFACYIMBU-VSGBNLITSA-N
SMILES:
COC(c1ccccc1)(c1ccccc1)[C@@H]([C@H](C(c1ccccc1)(c1ccccc1)OC)O)O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
454.214g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.566g/mol
Monoisotopic Mass:
454.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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