(3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one - CAS 76704-05-7
Catalog: |
BB035681 |
Product Name: |
(3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one |
CAS: |
76704-05-7 |
Synonyms: |
[3aS-(3aα,4α,5β,6aα)]-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one; Bimatoprost Impurity 8; Corey lactone Diol; Baraclude(R); (1S,3R,4S)-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine; (3aS,4R,5S,6aR)-(+)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one; 2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl)-6,9-dihydro-3H-purin-6-one |
IUPAC Name: | (3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one |
Description: | (3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one is one of bimatoprost impurities. Bimatoprost is a prostaglandin analog used topically (as eye drops) to control the progression of glaucoma and in the management of ocular hypertension. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | C1C(C(C2C1OC(=O)C2)CO)O |
InChI: | InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m0/s1 |
InChI Key: | VYTZWRCSPHQSFX-ZTYPAOSTSA-N |
Boiling Point: | 406.6±25.0 °C (Predicted) |
Melting Point: | 114-118 °C |
Purity: | ≥ 98 % |
Density: | 1.365 g/cm3 (Predicted) |
Storage: | -20 °C |
MDL: | MFCD00274285 |
LogP: | -0.70880 |
Publication Number | Title | Priority Date |
TW-202102472-A | Manufacturing method of prostaglandin | 20190327 |
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Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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