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176590-77-5 | 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (2R,3R)-
CAS No: 176590-77-5 Catalog No: AG0024RG MDL No:
Product Description
Catalog Number:
AG0024RG
Chemical Name:
1,2,3,4-Butanetetrol, 1,4-dibenzoate, (2R,3R)-
CAS Number:
176590-77-5
Molecular Formula:
C18H18O6
Molecular Weight:
330.3319
IUPAC Name:
[(2R,3R)-4-benzoyloxy-2,3-dihydroxybutyl] benzoate
InChI:
InChI=1S/C18H18O6/c19-15(11-23-17(21)13-7-3-1-4-8-13)16(20)12-24-18(22)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2/t15-,16-/m1/s1
InChI Key:
DJOUKNAKSJTIKP-HZPDHXFCSA-N
SMILES:
O[C@@H]([C@@H](COC(=O)c1ccccc1)O)COC(=O)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
330.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.336g/mol
Monoisotopic Mass:
330.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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