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CAS No.: | 606125-07-9 |
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Name: | Momor-cerebroside I |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.7 |
Synonyms: | Momor-cerebroside I;Tetracosanamide, N-[(1S,2S,3R,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-7-heptadecen-1-yl]-2-hydroxy-, (2R)- |
Density: | 1.036 g/cm3 |
Melting Point: | 203-205 °C |
Boiling Point: | 225.772 °C at 760 mmHg |
Flash Point: | 90.344 °C |
PSA: | 189.17000 |
LogP: | 8.84050 |
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The Momor-cerebroside I, with the CAS registry number of 606125-07-9, is also known as Isoleucinum. This chemical's molecular formula is C6H13NO2 and molecular weight is 131.7. What's more, its systematic name is L-Isoleucine.
Physical properties about the Momor-cerebroside I are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 34.863 cm3; (13)Molar Volume: 126.632 cm3; (14)Surface Tension: 39.002 dyne/cm; (15)Density: 1.036 g/cm3; (16)Flash Point: 90.344 °C; (17)Enthalpy of Vaporization: 50.93 kJ/mol; (18)Boiling Point: 225.772 °C at 760 mmHg; (19)Vapour Pressure: 0.031 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@H](C)[C@@H](C(=O)O)N
(2) InChI: InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
(3) InChIKey: AGPKZVBTJJNPAG-WHFBIAKZBB