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ONO-AE1-259 lysine

CAT: 0013-GTR19210661-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210661-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ONO-AE1-259 lysine
CAS Number
433232-03-2
Field of Research
Immunology & Inflammation; Pharmacology & Drug Discovery
Smiles
[C@H] (CCCCN) (C (O) =O) N.[C@@H] (C/C=C/[C@@H]1[C@@H] (C/C=C\CCCC (O) =O) [C@H] (Cl) C[C@H]1O) (O) C2 (CC) CCC2
Molecular Formula
C28H49ClN2O6
Molecular Weight
545.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
CAS Number433232-03-2
PubChem CID5311228
IUPAC Name(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular FormulaC23H35ClO4
Molecular Weight411.0
XLogP4.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
C=CCC1(CCC1)[C@H](C/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2C/C=C\CCCC(=O)O)Cl)O)O
InChI
InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1
InChIKey
XXTBGKDWFYXGDZ-KJCKJCAZSA-N
Chemical Structure
2D Structure
2D structure of (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
CAS: 433232-03-2
CID: 5311228
Formula: C23H35ClO4
MW: 411.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.0
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass410.2223873
Monoisotopic Mass410.2223873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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