(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate


Chemical Name: (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate
CAS Number: 31752-99-5
Product Number: AG003BQQ(AGN-PC-0WA1ZB)
Synonyms:
MDL No: MFCD00078077
Molecular Formula: C21H20O5
Molecular Weight: 352.3805

Identification/Properties


Properties
MP:
131-132 °C(lit.)
BP:
584.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5400 (estimate)
Computed Properties
Molecular Weight:
352.386g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
352.131g/mol
Monoisotopic Mass:
352.131g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
519
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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