GANGLIOSIDE GM1, AMMONIUM SALT, BOVINE

The CAS register number of Ganglioside Gm1 is 37758-47-7. It also can be called as Sialosylganglio-N-tetraosylceramide and the systematic name about this chemical is (2S,4S,5R,6R)-5-(acetylamino)-6-[(1S,2R)-3-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyra n-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-2-(h ydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-1,2-dihydroxypropyl]-2,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name). The molecular formula about this chemical is C₇₃H₁₃₄N₄O₃₁ and the molecular weight is 1563.85.  When you are using it, please do not breathe dust and avoid contact with skin and eyes. 

The Ganglioside Gm1 is a specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.

Physical properties about Ganglioside Gm1 are: (1)ACD/LogP: 7.93; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 512.1; (6)ACD/BCF (pH 7.4): 115.79; (7)ACD/KOC (pH 5.5): 401.88; (8)ACD/KOC (pH 7.4): 90.87; (9)#H bond acceptors: 34; (10)#H bond donors: 20; (11)#Freely Rotating Bonds: 68; (12)Polar Surface Area: 540.58Ų; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 384.13 cm³; (15)Molar Volume: 1139.4 cm³; (16)Polarizability: 152.28x10^-24cm³; (17)Surface Tension: 73.3 dyne/cm; (18)Enthalpy of Vaporization: 265.04 kJ/mol; (19)Boiling Point: 1527 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@@H](O)[C@H](O)CO[C@@H]4[C@@H](O)[C@@H](O[C@H](CO)[C@@H]4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]3NC(C)=O)O[C@@H]5[C@@ H](CO)O[C@@H](OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]5O)C(O)=O
(2)InChI: InChI=1/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-99-69-61(93)59(91)63(50(38-79)102-69)104-71-62(94)67(98-41-47(85)55(87)66-53(74-42(3)81)46(84)35-73(97,107-66)72(95)96)64(51(39-80)103-71)105-68-54(75-43(4)82)65(57(89)49(37-78)100-68)106-70-60(92)58(90)56(88)48(36-77)101-70/h31,33,44-51,53-71,77-80,83-85,87-94,97H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,95,96)/b33-31+/t44?,45?,46-,47+,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-/m0/s1
(3)InChIKey: CNLVNZJJSHZYAS-CPLPRONABA
(4)Std. InChI: InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-99-69-61(93)59(91)63(50(38-79)102-69)104-71-62(94)67(98-41-47(85)55(87)66-53(74-42(3)81)46(84)35-73(97,107-66)72(95)96)64(51(39-80)103-71)105-68-54(75-43(4)82)65(57(89)49(37-78)100-68)106-70-60(92)58(90)56(88)48(36-77)101-70/h31,33,44-51,53-71,77-80,83-85,87-94,97H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,95,96)/b33-31+/t44?,45?,46-,47+,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-/m0/s1
(5)Std. InChIKey: CNLVNZJJSHZYAS-CPLPRONASA-N