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65988-71-8

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Basic Information
CAS No.: 65988-71-8
Name: GD2-GANGLIOSIDE
Molecular Structure:
Molecular Structure of 65988-71-8 (GD2-GANGLIOSIDE)
Formula: C74H134N4O32
Molecular Weight: 1591.86
Synonyms: GD2;
Density: 1.38 g/cm3
Boiling Point: 1539.3 °C at 760 mmHg
Flash Point: 884.7 °C
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Specification

This chemical is called Ganglioside, GD2, and it can also be named as GD2 ganglioside. With the molecular formula of C74H134N4O32, its molecular weight is 1591.86. The CAS registry number of this chemical is 65988-71-8.

Other characteristics of the Ganglioside, GD2 can be summarised as followings: (1)ACD/LogP: 10.51; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 181728.39; (6)ACD/BCF (pH 7.4): 176172.77; (7)ACD/KOC (pH 5.5): 39402.98; (8)ACD/KOC (pH 7.4): 38198.39; (9)#H bond acceptors: 36; (10)#H bond donors: 24; (11)#Freely Rotating Bonds: 72; (12)Polar Surface Area: 339.68 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 393.9 cm3; (15)Molar Volume: 1152 cm3; (16)Polarizability: 156.15×10-24cm3; (17)Surface Tension: 77.5 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 884.7 °C; (20)Enthalpy of Vaporization: 267.59 kJ/mol; (21)Boiling Point: 1539.3 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure
1.InChI: InChI=1/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,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+,73-,74+/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]3NC(C)=O)[C@@H](O[C@@]3(C[C@@H](O)[C@H](N)[C@H](O3)[C@H](O)[C@@H](O)CO[C@@]3(C[C@@H](O)[C@H](N)[C@H](O3)[C@H](O)[C@@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@@H](O)[C@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCC