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1193782-16-9 | 5-Heptenamide, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-5-oxocyclopentyl]-, (5Z)-
CAS No: 1193782-16-9 Catalog No: AG000P70 MDL No:MFCD08062132
Product Description
Catalog Number:
AG000P70
Chemical Name:
5-Heptenamide, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-5-oxocyclopentyl]-, (5Z)-
CAS Number:
1193782-16-9
Molecular Formula:
C26H37NO6
Molecular Weight:
459.5751
MDL Number:
MFCD08062132
IUPAC Name:
(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
InChI:
InChI=1S/C26H37NO6/c28-17-20(18-29)27-26(33)11-7-2-1-6-10-22-23(25(32)16-24(22)31)15-14-21(30)13-12-19-8-4-3-5-9-19/h1,3-6,8-9,14-15,20-23,25,28-30,32H,2,7,10-13,16-18H2,(H,27,33)/b6-1-,15-14+/t21-,22+,23+,25+/m0/s1
InChI Key:
NYRITJWASKBGOC-KVXGTMRFSA-N
SMILES:
OCC(NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O)CO
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
459.262g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
459.583g/mol
Monoisotopic Mass:
459.262g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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