-
Name
Aliskiren inter-10
- EINECS
- CAS No. 365541-74-8
- Article Data5
- CAS DataBase
- Density 1.165 g/cm3
- Solubility
- Melting Point 74-75 ºC
- Formula C23H27NO4
- Boiling Point 535.9 °C at 760 mmHg
- Molecular Weight 381.472
- Flash Point 277.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (4R)-3-[(2S)-3-Methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)oxazolidin-2-one;
- PSA 55.84000
- LogP 4.00340
(4R)-3-[(2S)-3-Methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)-2-oxazolidinone Specification
The systematic name of (4R)-3-[(2S)-3-Methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)-2-oxazolidinone is 2-oxazolidinone, 3-[(2S)-3-methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)-, (4R)- . With the CAS registry number 365541-74-8, it is also named as (4R)-4-Benzyl-3-{(2S)-2-[(benzyloxy)methyl]-3-methylbutanoyl}-1,3-oxazolidin-2-one ; 2-oxazolidinone, 3-[(2S)-3-methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)-, (4R)- .
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.88 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.88 ; (4)ACD/LogD (pH 7.4): 3.88 ; (5)ACD/BCF (pH 5.5): 524.13 ; (6)ACD/BCF (pH 7.4): 524.13 ; (7)ACD/KOC (pH 5.5): 3077.35 ; (8)ACD/KOC (pH 7.4): 3077.35 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 8 ; (12)Index of Refraction: 1.566 ; (13)Molar Refractivity: 106.82 cm3 ; (14)Molar Volume: 327.2 cm3 ; (15)Polarizability: 42.34×10-24 cm3 ; (16)Surface Tension: 47.7 dyne/cm ; (17)Enthalpy of Vaporization: 81.25 kJ/mol ; (18) Vapour Pressure: 1.47E-11 mmHg at 25°C.
People can use the following data to convert to the molecule structure. SMILES: CC(C)[C@@H](COCc1ccccc1)C(=O)N2[C@@H](COC2=O)Cc3ccccc3; InChI: InChI=1/C23H27NO4/c1-17(2)21(16-27-14-19-11-7-4-8-12-19)22(25)24-20(15-28-23(24)26)13-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3/t20-,21-/m1/s1. (4R)-3-[(2S)-3-Methyl-1-oxo-2-[(phenylmethoxy)methyl]butyl]-4-(phenylmethyl)-2-oxazolidinone has many suppliers, such as BrightGene Bio-medical Technology Co., Ltd..
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