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CAS: 1540426-95-6

Name:
Rosuvastatin intermediates C-4
Cas No.:
1540426-95-6
Molecular Structure:
Molecular Structure of 1540426-95-6 (Rosuvastatin intermediates C-4)
EINECS(EC#):
Molecular Formula:
Molecular Weight:
Synonyms:
Chemical
Appearance:
Colorless or yellowish liquid
mp :
 
bp :
 
Flash Point:
 
Density:
 
Water Solubility :
 
Safety Data

Risk Codes:

Safety:

RTECS :

DG0875000

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.

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