Basic information
- CAS
76704-05-7- Standard SMILES
O=C1C[C@H]2[C@H](CO)[C@@H](O)C[C@H]2O1- InChIKey
VYTZWRCSPHQSFX-ZTYPAOSTSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- (+)-Corey lactone
- IUPAC
- (3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
- English name
- (-)-Corey Lactone Diol
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
76704-05-7DTXSID20454586RefChem:203646DTXCID50405405(+)-Corey lactone(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one(+)-Corey Lactone DiolMFCD00274285(3aS,4R,5S,6aR)-(+)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-oneBimatoprost Impurity HCS4LG4RY8A
Show more names
(3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxyMethyl)-hexahydrocyclopenta[b]furan-2-one(+) Corinolide diolD-Corey lactone diolBemeprost Impurity 8Alvocidib Impurity 31(+) COREY LACTONE DIOLBimatoprost Impurity 2
AC7752AKOS025147067DS-8809CS-0107215(3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-oneBimatoprost Impurity 8BCP13877Corey lactone diol, (+)-
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 114 · 114-118 °C(lit.)
- alpha
- -44 · -44 º (C=1.4 IN MEOH)
- Boiling point
- 406.6 · 406.6±25.0 °C(Predicted)
- Density
- 1.365 · 1.365
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 14.36 · 14.36±0.40(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D +44°, c = 2.3 in methanol
- 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
- InChIKey
- VYTZWRCSPHQSFX-ZTYPAOSTSA-N
- SMILES
- O1C(=O)C[C@@]2([H])[C@H](CO)[C@@H](O)C[C@@]12[H]
- CAS DataBase Reference
- 76704 · 76704-05-7
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29322090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one (Bimatoprost Impurity 8) is an impurity of Bimatoprost (B386800), an antiglaucoma agent. Bimatoprost is also a synthetic prostamide; structurally related to prostaglandin F2α.
Suppliers100 total
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
湖北海克斯生化有限公司18696113233 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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