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Ganglioside Gm1

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Name

Ganglioside Gm1

EINECS 200-081-4
CAS No. 37758-47-7 Density 1.35 g/cm3
PSA 540.58000 LogP 1.69070
Solubility soluble in chloroform/methanol (9:1): 10 mg/mL Melting Point 207-230oC
Formula C73H134N4O31 Boiling Point 1527 °C at 760 mmHg
Molecular Weight 1563.85 Flash Point 877.3 °C
Transport Information N/A Appearance lyophilized powder
Safety 22-24/25 Risk Codes 22-24/25
Molecular Structure Molecular Structure of 37758-47-7 (GANGLIOSIDE GM1, AMMONIUM SALT, BOVINE) Hazard Symbols R22;R24/25:;
Synonyms

GangliosideG4 (7CI);GM1-Ganglioside;Ganglioside A2;Ganglioside GGtet1;GangliosideGI;Ganglioside GM1a;Ganglioside M1;Sialosylganglio-N-tetraosylceramide;Sygen;

 

Ganglioside Gm1 Specification

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: 540.58Å2; (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

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