CAS No.192003-00-2,L-BETA-HOMOTHREONINE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	192003-00-2
Name:	L-BETA-HOMOTHREONINE HCL

Formula:	C₅H₁₁NO₃
Molecular Weight:	169.61
Synonyms:	3-Amino-2,3,5-trideoxy-L-threo-pentonic acid;
Density:	1.237 g/cm³
Boiling Point:	355.8 °C at 760 mmHg
Flash Point:	169 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	83.55000
LogP:	0.67150

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Specification

The L-Threo-Pentonic acid,3-amino-2,3,5-trideoxy-, with the CAS registry number 192003-00-2, is also known as 3-Amino-2,3,5-trideoxy-L-threo-pentonic acid. This chemical's molecular formula is C₅H₁₁NO₃ and molecular weight is 133.1457. What's more, its IUPAC name is called (3S,4S)-3-Amino-4-hydroxypentanoic acid.

Physical properties about L-Threo-Pentonic acid,3-amino-2,3,5-trideoxy- are: (1) ACD/LogP: -0.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -3.31; (4) ACD/LogD (pH 7.4): -3.31; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 4; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 38.77 Å²; (13) Index of Refraction: 1.502; (14) Molar Refractivity: 31.76 cm³; (15) Molar Volume: 107.6 cm³; (16) Surface Tension: 55.2 dyne/cm; (17) Density: 1.237 g/cm³; (18) Flash Point: 169 °C; (19) Enthalpy of Vaporization: 69.58 kJ/mol; (20) Boiling Point: 355.8 °C at 760 mmHg; (21) Vapour Pressure: 1.73E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@H](N)[C@@H](O)C
(2) InChI: InChI=1/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m0/s1
(3) InChIKey: NIVRJEWVLMOZNV-IMJSIDKUBH