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363-24-6 molecular structure
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7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]hept-5-enoic acid

ChemBase ID: 104061
Molecular Formular: C20H32O5
Molecular Mass: 352.46508
Monoisotopic Mass: 352.22497412
SMILES and InChIs

SMILES:
CCCCCC(O)/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O
Canonical SMILES:
CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)O
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)
InChIKey:
XEYBRNLFEZDVAW-UHFFFAOYSA-N

Cite this record

CBID:104061 http://www.chembase.cn/molecule-104061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]hept-5-enoic acid
IUPAC Traditional name
(-)-prostaglandin E2
Synonyms
(5Z,8-iso,11α,13E,15(S))-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
8-iso PROSTAGLANDIN E2
5Z,11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
[5Z,11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
PROSTAGLANDIN E2 γ-IRRADIATED
PROSTAGLANDIN E2
PROSTAGLANDIN E2
CAS Number
363-24-6
EC Number
206-656-6
PubChem SID
162092424
PubChem CID
5353587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5353587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3033595  H Acceptors
H Donor LogD (pH = 5.5) 2.0038702 
LogD (pH = 7.4) 0.2647247  Log P 3.22527 
Molar Refractivity 99.4351 cm3 Polarizability 38.188305 Å3
Polar Surface Area 94.83 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66°C expand Show data source
Storage Condition
-20°C expand Show data source
-20°C, Desiccate expand Show data source
RTECS
UK8000000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
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Risk Statements
R:22 expand Show data source
Safety Statements
S:36/37/39 expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02154324 external link
((5Z,8-iso,11α,13E,15(S))-11,15- dihydroxy-9-oxoprosta-5,13-dien-1-oic acid) Purity: 99% White crystalline powder
MP Biomedicals - 02194576 external link
Cell Culture Reagent γ-Irradiated Synthetic White to light yellow needles Purity: 99%
MP Biomedicals - 02194577 external link
Cell Culture Reagent Synthetic White to light yellow needles Purity: 99%
MP Biomedicals - 02195461 external link
Synthetic
White to light yellow needles
Purity: 99%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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