5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-


Chemical Name: 5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-
CAS Number: 130209-82-4
Product Number: AG000U58(AGN-PC-0PJ57T)
Synonyms:
MDL No:
Molecular Formula: C26H40O5
Molecular Weight: 432.5928

Identification/Properties


Properties
BP:
583.8°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Liquid
Solubility:
DMSO: freely soluble
Computed Properties
Molecular Weight:
432.601g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
14
Exact Mass:
432.288g/mol
Monoisotopic Mass:
432.288g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
526
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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