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31752-99-5

Basic Information
CAS No.: 31752-99-5
Name: (-)-Corey lactone 4-phenylbenzoate alcohol
Article Data: 9
Molecular Structure:
Molecular Structure of 31752-99-5 ((-)-Corey lactone 4-phenylbenzoate alcohol)
Formula: C21H20O5
Molecular Weight: 352.387
Synonyms: 4-Biphenylcarboxylicacid, 5-ester with 3,3aa,4,5,6,6aa-hexahydro-5b-hydroxy-4a-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one,(-)- (8CI);[1,1'-Biphenyl]-4-carboxylic acid,hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-(3aa,4a,5b,6aa)]-;(-)-Corey lactone;AC1MC4MK;AC1Q77S9;CID2724295;AC-6092;(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]fur-5-ylbiphenyl-4-carboxylat;[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4S,5R,6aS)-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester;
EINECS: 608-667-5
Density: 1.32 g/cm3
Melting Point: 128-134 °C
Boiling Point: 584.8 °C at 760 mmHg
Flash Point: 210.6 °C
Solubility: Insoluble in water
Appearance: Off-white to pale yellow solid
Safety: 22-24/25
PSA: 72.83000
LogP: 2.82290
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    Product name: BPCOD;(-)-Corey Lactone p-Phenyl Benzoate CAS No.: 31752-99-5 Formula: C21H20O5 Structure: Appearance:Colorless crystalline powder Storage:Store sealed at room temperature Package:25Kg/drum Application:(-) Corey lactone p

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    (-)-Corey lactone 4-phenylbenzoate alcohol

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  • 31752-99-5 manufacturer/high quality/in stock

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    CHANGZHOU HANGYU PHARMACEUTICAL TECHNOLOGY CO., LTD. founded in 1984, engages in pharmaceutical research, development, production, process design and technical consultation of synthetic and fermentation pharmaceutical products. The organizational s

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  • (-)-Corey lactone 4-phenylbenzoate alcohol

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    (-)-Corey lactone 4-phenylbenzoate alcohol

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Specification

The (-)-Corey lactone 4-phenylbenzoate alcohol with CAS registry number of 31752-99-5 is also known as [1,1'-Biphenyl]-4-carboxylicacid,(3aR,4S,5R,6aS)-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-ylester. The IUPAC name is [(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate. It belongs to product categories of Prostaglandins; Latanoprost; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, the formula is C21H20O5 and the molecular weight is 352.38. This chemical is a off-white to pale yellow solid and should be sealed in cool, dry place at the temperature of 0-6 °C. During using it, avoid contact with skin and eyes and do not breathe dust.

Physical properties about (-)-Corey lactone 4-phenylbenzoate alcohol are: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 88.64; (5)ACD/BCF (pH 7.4): 88.64; (6)ACD/KOC (pH 5.5): 862.43; (7)ACD/KOC (pH 7.4): 862.43; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 94.2 cm3; (13)Molar Volume: 265.2 cm3; (14)Surface Tension: 59.7 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 210.6 °C; (17)Enthalpy of Vaporization: 91.91 kJ/mol; (18)Boiling Point: 584.8 °C at 760 mmHg; (19)Vapour Pressure: 1.61E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO
2. Isomeric SMILES: C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO
3. InChI: InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1
4. InChIKey: SZJVIFMPKWMGSX-AKHDSKFASA-N