2-Heptenoic acid,7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-5-oxocyclopentyl]-, (2E)-


Chemical Name: 2-Heptenoic acid,7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-5-oxocyclopentyl]-, (2E)-
CAS Number: 74397-12-9
Product Number: AG003RAD(AGN-PC-0U56N1)
Synonyms:
MDL No:
Molecular Formula: C22H36O5
Molecular Weight: 380.5182

Identification/Properties


Properties
MP:
96 - 100°C
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
380.525g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
13
Exact Mass:
380.256g/mol
Monoisotopic Mass:
380.256g/mol
Topological Polar Surface Area:
94.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
511
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H300
Precautionary Statements:
P264-P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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