Name: D-(+)-CELLOTRIOSE
SKU: 33404-34-1

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Basic Information

Molecular Structure:
CAS No.:	33404-34-1
Name:	D-(+)-CELLOTRIOSE
Article Data:	12

Formula:	C₁₈H₃₂O₁₆
Molecular Weight:	504.442
Synonyms:	Cellotriose(6CI,7CI,8CI);D-Glucosyl-b-(1?;4)-D-glucosyl-b-(1?;4)-D-glucose;
Density:	1.81 g/cm³
Melting Point:	> 165 °C
Boiling Point:	865.164 °C at 760 mmHg
Flash Point:	477.034 °C
Solubility:	Soluble in water at 50mg/ml /n
Appearance:	white solid
Safety:	22-24/25
PSA:	268.68000
LogP:	-7.57300

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Specification

The D-Glucose, O-b-D-glucopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®4)-, with the CAS registry number 33404-34-1, is also known as D-Glucose, O-D-glucopyranosyl. It belongs to the product categories of Oligosaccharide Compounds; Oligosaccharides. This chemical's molecular formula is C₁₈H₃₂O₁₆ and molecular weight is 504.44. What's more, its systematic name is called β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-D-glucopyranose. When you are dealing with this chemical, you should be very careful. The gas can not be breathed. You should avoid contacting with skin and eyes.

Physical properties about D-Glucose, O-b-D-glucopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®4)- are: (1)ACD/LogP: -4.673; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 16; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 268.68 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 104.527 cm³; (15)Molar Volume: 278.708 cm³; (16)Polarizability: 41.438×10^-24cm³; (17)Surface Tension: 119.179 dyne/cm; (18)Density: 1.81 g/cm³; (19)Flash Point: 477.034 °C; (20)Enthalpy of Vaporization: 142.884 kJ/mol; (21)Boiling Point: 865.164 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]3[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2O)[C@H](OC(O)[C@@H]3O)CO
(2) InChI: InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1
(3) InChIKey: FYGDTMLNYKFZSV-ZWSAEMDYSA-N