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Carboprost Impurity 17

CAT: 1299-RM-C011517-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C011517-01Size:10 mg
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CAS Number
113626-85-0
Synonyms
(E) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((R, E) -3-hydroxy-3-methyloct-1-en-1-yl) cyclopentyl) hept-5-enoic acid
Molecular Formula
C21H36O5
Molecular Weight
368.51
Target Alternative Name
Carboprost
Product Name Synonym
(E) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((R, E) -3-hydroxy-3-methyloct-1-en-1-yl) cyclopentyl) hept-5-enoic acid

Chemical Information

Carboprost Impurity 17
CAS Number113626-85-0
PubChem CID71556721
IUPAC Name(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular FormulaC21H36O5
Molecular Weight368.5
XLogP2.9
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity473
SMILES
CCCCC[C@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,19-,21-/m1/s1
InChIKey
DLJKPYFALUEJCK-AHJQGUAMSA-N
Chemical Structure
2D Structure
2D structure of Carboprost Impurity 17
CAS: 113626-85-0
CID: 71556721
Formula: C21H36O5
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass368.25627424
Monoisotopic Mass368.25627424
Topological Polar Surface Area98 Ų
Heavy Atom Count26
Formal Charge0
Complexity473
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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