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CAS No.: | 35978-97-3 |
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Name: | N-(E-AMINOCAPROYL)-B-L-FUCOPYRANOSYLAMINE |
Molecular Structure: | |
Formula: | C12H24N2O5 |
Molecular Weight: | 276.33 |
Synonyms: | N-(e-Aminocaproyl)-b-L-fucopyranosylamine; |
Density: | 1.266 g/cm3 |
Melting Point: | 75-80 °C |
Boiling Point: | 543.516 °C at 760 mmHg |
Flash Point: | 282.508 °C |
PSA: | 125.04000 |
LogP: | -0.45960 |
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The CAS registry number of Hexanamide,6-amino-N-(6-deoxy-b-L-galactopyranosyl)- is 35978-97-3. The IUPAC name is 6-amino-N-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]hexanamide. In addition, the molecular formula is C12H24N2O5 and the molecular weight is 276.33. It is a kind of white amorphous powder and belongs to the classes of Affinity Chromatography and Carbohydrates & Derivatives.
Physical properties about Hexanamide,6-amino-N-(6-deoxy-b-L-galactopyranosyl)- are: (1)# of Rule of 5 Violations: 1 ; (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: 7; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 125.04 Å2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 69.191 cm3; (12)Molar Volume: 218.333 cm3; (13)Polarizability: 27.429 ×10-24cm3; (14)Surface Tension: 59.147 dyne/cm; (15)Density: 1.266 g/cm3; (16)Flash Point: 282.508 °C; (17)Enthalpy of Vaporization: 94.499 kJ/mol; (18)Boiling Point: 543.516 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1[C@H]([C@@H](C([C@H](O1)NC(=O)CCCCCN)O)O)O
(2)InChI: InChI=1/C12H24N2O5/c1-7-9(16)10(17)11(18)12(19-7)14-8(15)5-3-2-4-6-13/h7,9-12,16-18H,2-6,13H2,1H3,(H,14,15)/t7?,9-,10+,11?,12+/m1/s1
(3)InChIKey: OCYKRQKYASNHPN-QXLODFHTBX