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Name |
L-Threo-Pentonic acid,3-amino-2,3,5-trideoxy- |
EINECS | N/A |
CAS No. | 192003-00-2 | Density | 1.237 g/cm3 |
PSA | 83.55000 | LogP | 0.67150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H11NO3 | Boiling Point | 355.8 °C at 760 mmHg |
Molecular Weight | 169.61 | Flash Point | 169 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Amino-2,3,5-trideoxy-L-threo-pentonic acid; |
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