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PGB2 (Prostaglandin B2)

CAT: 0024-sc-201219Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201219Size:1 mg
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CAS Number
13367-85-6

Chemical Information

Prostaglandin B2

Prostaglandin B2 is a prostaglandins B. It has a role as a human metabolite. It is a conjugate acid of a prostaglandin B2(1-).

CAS Number13367-85-6
PubChem CID5280881
IUPAC Name(Z)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP3.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity500
SMILES
CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
InChIKey
PRFXRIUZNKLRHM-HKVRTXJWSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin B2
CAS: 13367-85-6
CID: 5280881
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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