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(-) -Cloprostenol

CAT: 0926-GIA55598-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GIA55598-02Size:50 mg
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CAS Number
206555-98-8
Smiles
C1C (C (C (C1O) C=CC (COC2=CC (=CC=C2) Cl) O) CC=CCCCC (=O) O) O
Molecular Formula
C22H29ClO6
Molecular Weight
424.9 g/mol
Controlled
No

Chemical Information

(-)-Cloprostenol
CAS Number206555-98-8
PubChem CID16078962
IUPAC Name(Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular FormulaC22H29ClO6
Molecular Weight424.9
XLogP2.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity551
SMILES
C1[C@H]([C@H]([C@@H]([C@H]1O)/C=C/[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m0/s1
InChIKey
VJGGHXVGBSZVMZ-CHPNCWRZSA-N
Chemical Structure
2D Structure
2D structure of (-)-Cloprostenol
CAS: 206555-98-8
CID: 16078962
Formula: C22H29ClO6
MW: 424.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.9
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass424.1652663
Monoisotopic Mass424.1652663
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity551
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