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| CAS No.: | 1540426-95-6 |
|---|---|
| Name: | Rosuvastatin intermediates C-4 |
| Molecular Structure: | |
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| Formula: | C13H20N2O4 |
| Molecular Weight: | 302.36300 |
| Synonyms: | tert-butyl(4r-cis)-6-((acetyloxy)methyl)-2,2-dimethyl-1,3-dioxane-4-acetate; (4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester; (4R-CIS)-6-[(ACETYLOXY)METHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETIC ACID, T-BUTYL ESTER; (4r-Cis)6[(Acetyloxymethyl)]-2,2-Dimethyl-1,3-Dimethyl-1,3-Dioxane-4-Acetic Acid, 1,1-Dimethylethyl Ester; 2-[(4R,6S)-6-(Acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-buthyl ester; Rosuvastatin calcium intermediate C-1; (4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-diox ane-4-acetic acid,1,1-dimethylethyl ester; (4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid,1,1-dimethylethyl ester; tert-Butyl(4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetate; tert-butyl 6-O-acetyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate; (4R-cis)-6-[(acetyloxy)methyl ]-2,2-dimethyl-1,3-dioxane-4-acetic acid,1,1-dimethylethyl ester; (4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-yl] acetic acid tert-butyl e |
| EINECS: | 1806241-263-5 |
| Density: | 1.037 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 353.142ºC at 760 mmHg |
| Flash Point: | 150.334ºC |
| Solubility: | N/A |
| Appearance: | Colorless or yellowish liquid |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 71.06000 |
| LogP: | 2.19150 |
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Specification
The 2-Methyl-2-propanyl 6-O-acetyl-2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate, with the CAS registry number 1540426-95-6,is also known as Rosuvastatin intermediates C-4. It belongs to the product categories of Organic matters. This chemical's molecular formula is C15H26O6 and molecular weight is 302.363. What's more,Its systematic name is 2-Methyl-2-propanyl 6-O-acetyl-2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate.
Physical properties about 2-Methyl-2-propanyl 6-O-acetyl-2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate are:
(1)ACD/LogP:2.041; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):2.04; (4)ACD/LogD (pH 7.4):2.04; (5)ACD/BCF (pH 5.5):20.96; (6) ACD/BCF (pH 7.4): 20.96; (7)ACD/KOC (pH 5.5):307.23; (8)ACD/KOC (pH 7.4): 307.23; (9)#H bond acceptors:6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds:7; (12)Index of Refraction:1.436; (13) Molar Refractivity:76.312 cm3; (14)Molar Volume:291.645 cm3; (15) Polarizability:30.252 10-24cm3; (16)Surface Tension:33.9819984436035 dyne/cm; (17)Density:1.037 g/cm3; (18)Flash Point:150.334 °C; (19)Enthalpy of Vaporization:59.804 kJ/mol; (20)Boiling Point:353.142 °C at 760 mmHg; (21)Vapour Pressure:0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(C)(C)C)C[C@@H]1OC(O[C@@H](C1)COC(=O)C)(C)C;
(2)Std. InChI:InChI=1S/C15H26O6/c1-10(16)18-9-12-7-11(19-15(5,6)20-12)8-13(17)21-14(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12+/m1/s1;
(3)Std. InChIKey:NGABCYSYENPREI-NEPJUHHUSA-N.