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58840-79-2

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Basic Information
CAS No.: 58840-79-2
Name: AC-D-LYS-OH
Molecular Structure:
Molecular Structure of 58840-79-2 (AC-D-LYS-OH)
Formula: C8H16N2O3
Molecular Weight: 188.227
Synonyms: Na-Acetyl-D-lysine;
Density: 1.139 g/cm3
Boiling Point: 438.5 °C at 760 mmHg
Flash Point: 219 °C
PSA: 92.42000
LogP: 0.79590
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Specification

This chemical is called D-Lysine, N2-acetyl-, and its systematic name is N2-acetyl-D-lysine. With the molecular formula of C8H16N2O3, its molecular weight is 188.22. The CAS registry number of this chemical is 58840-79-2.

Other characteristics of the D-Lysine, N2-acetyl- can be summarised as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 92.42 Å2; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 47.79 cm3; (12)Molar Volume: 165.2 cm3; (13)Polarizability: 18.94×10-24cm3; (14)Surface Tension: 46.6 dyne/cm; (15)Density: 1.139 g/cm3; (16)Flash Point: 219 °C; (17)Enthalpy of Vaporization: 76.24 kJ/mol; (18)Boiling Point: 438.5 °C at 760 mmHg; (19)Vapour Pressure: 6.45E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(C)N[C@H](CCCCN)C(O)=O
2.InChI: InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1
3.InChIKey: VEYYWZRYIYDQJM-SSDOTTSWBA