Basic information
- Name:
L-Isoleucine,4-hydroxy-
- Superlist Name:
- 4-Hydroxyisoleucine
- CAS No.:
781658-23-9
- Molecular Structure:
- Formula:
- C6H13NO3
- Molecular Weight:
- 147.17
- Synonyms:
- 4-Hydroxyisoleucine;2-amino-4-hydroxy-3-methylpentanoic acid (non-preferred name);4-hydroxy isoleucine;From Quararibea funebris (Llave) plant;Quararibea lactone;pentonic acid, 2-amino-2,3,5-trideoxy-3-methyl-;4-Hydroxy-l-isoleucine;
- Density:
- 1.181 g/cm3
- Melting Point:
- >200°C
- Boiling Point:
- 331.6 °C at 760 mmHg
- Flash Point:
- 154.4 °C
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Specification
The L-Isoleucine,4-hydroxy-, with the CAS registry number 781658-23-9, has systematic name of 2-amino-4-hydroxy-3-methylpentanoic acid (non-preferred name). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H13NO3.
The characteristics of L-Isoleucine,4-hydroxy- are as followings: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.77 Å2; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 36.35 cm3; (13)Molar Volume: 124.5 cm3; (14)Polarizability: 14.41×10-24cm3; (15)Surface Tension: 49.6 dyne/cm; (16)Density: 1.181 g/cm3; (17)Flash Point: 154.4 °C; (18)Enthalpy of Vaporization: 66.55 kJ/mol; (19)Boiling Point: 331.6 °C at 760 mmHg; (20)Vapour Pressure: 1.11E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)C(C)C(O)C
(2)InChI: InChI=1/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)
(3)InChIKey: OSCCDBFHNMXNME-UHFFFAOYAA