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(+) -Cloprostenol Isopropyl Ester

CAT: 1299-RM-C123204-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C123204-01Size:10 mg
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CAS Number
157283-66-4
Synonyms
Isopropyl (Z) -7- ((1R,2R,3R,5S) -2- ((R, E) -4- (3-chlorophenoxy) -3-hydroxybut-1-en-1-yl) -3,5-dihydroxycyclopentyl) hept-5-enoate
Molecular Formula
C25H35ClO6
Molecular Weight
467
Target Alternative Name
Cloprostenol
Product Name Synonym
Isopropyl (Z) -7- ((1R,2R,3R,5S) -2- ((R, E) -4- (3-chlorophenoxy) -3-hydroxybut-1-en-1-yl) -3,5-dihydroxycyclopentyl) hept-5-enoate

Chemical Information

Isopropyl Cloprostenate
CAS Number157283-66-4
PubChem CID59938277
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
Molecular FormulaC25H35ClO6
Molecular Weight467.0
XLogP3.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity607
SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)O)O
InChI
InChI=1S/C25H35ClO6/c1-17(2)32-25(30)11-6-4-3-5-10-21-22(24(29)15-23(21)28)13-12-19(27)16-31-20-9-7-8-18(26)14-20/h3,5,7-9,12-14,17,19,21-24,27-29H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1
InChIKey
OCNSAYQJDKJOLH-AHTXBMBWSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Cloprostenate
CAS: 157283-66-4
CID: 59938277
Formula: C25H35ClO6
MW: 467.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.0
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass466.2122165
Monoisotopic Mass466.2122165
Topological Polar Surface Area96.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity607
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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