AG01DPKK

Name: (5Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid
Brand: Angene Chemical
SKU: AG01DPKK

38310-90-6 | (5Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid

Chemical structure of (5Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid, CAS 38310-90-6

AG01DPKK

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CAS Number	38310-90-6
Catalog Number	AG01DPKK(AGN-PC-0RG5NI)
Chemical Name	(5Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid
IUPAC Name	(Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
InChI	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19-/m0/s1
InChI Key	XEYBRNLFEZDVAW-YUOXZBOXSA-N
MDL Number	MFCD00135215
Molecular Formula	C20H32O5
Molecular Weight	352.4651
SMILES	CCCCC[C@@H](/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O)O
Synonyms	11beta-PGE2, 11beta-Prostaglandin E2, 38310-90-6, 11b-PGE2, 9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid, (Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid, AC1NR1FS, SCHEMBL16527305, CHEBI:89581, CHEBI:140932, XEYBRNLFEZDVAW-YUOXZBOXSA-N, ent-8,15-diepi-15-E2c-IsoP, 1145AH, LMFA03010060, ZINC15111010, SR-01000946843, SR-01000946843-1, 9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R], (5Z,11beta,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid, Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-,(5Z,11b,13E,15S)-, 8-isoprostaglandin E2, FA(20:2(OH2,Ke,cyclo)), C20H32O5, CID5283061,

Complexity	469
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	2
Exact Mass	352.225g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	352.471g/mol
Monoisotopic Mass	352.225g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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