CAS No.585-99-9,MELIBIOSE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	585-99-9
Name:	MELIBIOSE

Formula:	C₁₂H₂₂O₁₁
Molecular Weight:	342.3
Synonyms:	Melibiose(8CI);D-Melibiose;NSC 2028;
EINECS:	209-568-6
Density:	1.76 g/cm³
Melting Point:	182 °C (dec.)(lit.)
Boiling Point:	662.8 °C at 760 mmHg
Flash Point:	354.6 °C
Solubility:	1.00E+06 mg/L in water
Appearance:	white powder
PSA:	197.37000
LogP:	-5.55460

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Specification

This chemical is called D-Glucose, 6-O-α-D-galactopyranosyl-, and its CAS registry number is 585-99-9. With the molecular formula of C₁₂H₂₂O₁₁, its product categories are Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides; Sugars; Dextrins、Sugar & Carbohydrates. Additionally, it's made from the grape sugar and galactose.

Other characteristics of the D-Glucose, 6-O-α-D-galactopyranosyl- can be summarised as followings: (1)# of Rule of 5 Violations: 2 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 11; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 189.53 Å²; (10)Index of Refraction: 1.652; (11)Molar Refractivity: 70.8 cm³; (12)Molar Volume: 193.6 cm³; (13)Polarizability: 28.06×10^-24cm³; (14)Surface Tension: 110.8 dyne/cm; (15)Density: 1.76 g/cm³; (16)Flash Point: 354.6 °C; (17)Enthalpy of Vaporization: 111.6 kJ/mol; (18)Boiling Point: 662.8 °C at 760 mmHg; (19)Vapour Pressure: 2.18E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@@H]2[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(O)[C@H](O)[C@H]2O
2.InChI: InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11u,12+/m1/s1
3.InChIKey: DLRVVLDZNNYCBX-SEFDSKPDBK