CAS No.3371-50-4,Isomaltotriose Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3371-50-4
Name:	Isomaltotriose
Article Data:	12

Formula:	C₁₈H₃₂O₁₆
Molecular Weight:	504.442
Synonyms:	Isomaltotriose(6CI,8CI);6-a-Isomaltosylglucose;
EINECS:	222-149-2
Density:	1.8 g/cm³
Boiling Point:	856.6 °C at 760 mmHg
Flash Point:	471.9 °C
Solubility:	Soluble in water
Appearance:	Lyophilized powder
Safety:	24/25
PSA:	268.68000
LogP:	-7.57300

Total:24 Page 1 of 1 1

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Specification

The CAS register number of Isomaltotriose is 3371-50-4. It also can be called as 6-a-Isomaltosylglucose and the systematic name about this chemical is hexopyranosyl-(1->6)hexopyranosyl-(1->6)hexopyranose. The molecular formula about this chemical is C₁₈H₃₂O₁₆ and the molecular weight is 504.44. It belongs to the following product categories which include Basic Sugars (Mono & Oligosaccharides); Biochemistry; Sugars; Trisaccharides and so on.

Physical properties about Isomaltotriose are: (1)ACD/LogP: -3.77; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.77; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 147.68 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 104.52 cm³; (15)Molar Volume: 278.7 cm³; (16)Polarizability: 41.43x10^-24cm³; (17)Surface Tension: 119.1 dyne/cm; (18)Density: 1.8 g/cm³; (19)Flash Point: 471.9 °C; (20)Enthalpy of Vaporization: 141.5 kJ/mol; (21)Boiling Point: 856.6 °C at 760 mmHg; (22)Vapour Pressure: 3.56E-34 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)COC3OC(CO)C(O)C(O)C3O
(2)InChI: InChI=1/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2
(3)InChIKey: FBJQEBRMDXPWNX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2
(5)Std. InChIKey: FBJQEBRMDXPWNX-UHFFFAOYSA-N