Name: GD2-GANGLIOSIDE
SKU: 65988-71-8

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Basic Information

Molecular Structure:
CAS No.:	65988-71-8
Name:	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

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Specification