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| CAS No.: | 71012-19-6 |
|---|---|
| Name: | ASIALOGANGLIOSIDE-GM1 |
| Molecular Structure: | |
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| Formula: | C62H114N2O23 |
| Molecular Weight: | 1255.57 |
| Synonyms: | AsialoGM1;Asialo GM1 ganglioside;Asialo ganglioside GM1a;Asialoganglioside GM1;Asialoganglioside GT1b;Ganglio-N-tetraosylceramide;Ganglioside GA1;Gangliotetraosylceramide; |
| EINECS: | 231-157-5 |
| Density: | 1.28 g/cm3 |
| Boiling Point: | 1302 °C at 760 mmHg |
| Flash Point: | 741.2 °C |
| Appearance: | white powder |
| Safety: | 22-24/25 |
| PSA: | 398.27000 |
| LogP: | 2.88950 |
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- Total:26 Page 1 of 1 1
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Specification
This chemical is called Asialo GM1 ganglioside, and its IUPAC name is N-[(E)-1-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide. With the molecular formula of C62H114N2O23, its molecular weight is 1255.57. The CAS registry number of this chemical is 71012-19-6. In addition, it should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Asialo GM1 ganglioside can be summarised as followings: (1)ACD/LogP: 9.40; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 9.4; (4)ACD/LogD (pH 7.4): 9.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3078525.5; (8)ACD/KOC (pH 7.4): 3078512; (9)#H bond acceptors: 25; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 58; (12)Polar Surface Area: 234.45 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 321.83 cm3; (15)Molar Volume: 980.1 cm3; (16)Polarizability: 127.58×10-24cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 741.2 °C; (20)Enthalpy of Vaporization: 220.1 kJ/mol; (21)Boiling Point: 1302 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40?,41?,42-,43-,44-,45-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59+,60?,61+,62+/m1/s1
2.Smiles: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCC