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CAS No.: | 144889-50-9 |
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Name: | N-ACETYL-S-(3,4-DIHYDROXYBUTYL)-L-CYSTEINE |
Molecular Structure: | |
Formula: | C9H17NO5S |
Molecular Weight: | 251.30 |
Synonyms: | 4-(N-Acetyl-L-cystein-S-yl)-1,2-dihydroxybutane;(2R)-2-Acetamido-3-(3,4-dihydroxybutylsulfanyl)propanoic acid; |
Density: | 1.341 g/cm3 |
Melting Point: | NA |
Boiling Point: | 573.162 °C at 760 mmHg |
Flash Point: | 300.438 °C |
PSA: | 132.16000 |
LogP: | -0.55690 |
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The CAS registry number of L-Cysteine,N-acetyl-S-(3,4-dihydroxybutyl)- is 144889-50-9. The IUPAC name is (2R)-2-acetamido-3-(3,4-dihydroxybutylsulfanyl)propanoic acid. In addition, the molecular formula is C9H17NO5S and the molecular weight is 251.30. It is a kind of white to off-white waxy solid and should be stored in a cool and dry place.
Physical properties about L-Cysteine,N-acetyl-S-(3,4-dihydroxybutyl)- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 132.16 Å2; (9)Index of Refraction: 1.552; (10)Molar Refractivity: 59.918 cm3; (11)Molar Volume: 187.392 cm3; (12)Polarizability: 23.753 ×10-24cm3; (13)Surface Tension: 61.102 dyne/cm; (14)Density: 1.341 g/cm3; (15)Flash Point: 300.438 °C; (16)Enthalpy of Vaporization: 98.658 kJ/mol; (17)Boiling Point: 573.162 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@@H](CSCCC(CO)O)C(=O)O
(2)Std. InChI: InChI=1S/C9H17NO5S/c1-6(12)10-8(9(14)15)5-16-3-2-7(13)4-11/h7-8,11,13H,2-5H2,1H3,(H,10,12)(H,14,15)/t7?,8-/m0/s1
(3)Std. InChIKey: VGJNEDFZFZCLSX-MQWKRIRWSA-N