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| CAS No.: | 37758-47-7 |
|---|---|
| Name: | GANGLIOSIDE GM1, AMMONIUM SALT, BOVINE |
| Molecular Structure: | |
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| Formula: | C73H134N4O31 |
| Molecular Weight: | 1563.85 |
| Synonyms: | GangliosideG4 (7CI);GM1-Ganglioside;Ganglioside A2;Ganglioside GGtet1;GangliosideGI;Ganglioside GM1a;Ganglioside M1;Sialosylganglio-N-tetraosylceramide;Sygen; |
| EINECS: | 200-081-4 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 207-230oC |
| Boiling Point: | 1527 °C at 760 mmHg |
| Flash Point: | 877.3 °C |
| Solubility: | soluble in chloroform/methanol (9:1): 10 mg/mL |
| Appearance: | lyophilized powder |
| Hazard Symbols: | R22;R24/25:; |
| Risk Codes: | 22-24/25 |
| Safety: | 22-24/25 |
| PSA: | 540.58000 |
| LogP: | 1.69070 |
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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