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Prostaglandin E2-d4

CAT: 1596-AR-P33068-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33068-02Size:25 Units
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CAS Number
34210-10-1
Molecular Formula
C20H28D4O5
Molecular Weight
356.50
API Name
Prostaglandin

Chemical Information

Prostaglandin E2-3,3,4,4-d4

PGE2-d4 is a prostanoid.

CAS Number34210-10-1
PubChem CID5283031
IUPAC Name(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Molecular FormulaC20H32O5
Molecular Weight356.5
XLogP2.8
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity469
SMILES
[2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)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)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i5D2,8D2
InChIKey
XEYBRNLFEZDVAW-YOLMOHOWSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin E2-3,3,4,4-d4
CAS: 34210-10-1
CID: 5283031
Formula: C20H32O5
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass356.25008110
Monoisotopic Mass356.25008110
Topological Polar Surface Area94.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity469
Isotope Atom Count4
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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