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Kanabristol

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Name

Kanabristol

EINECS
CAS No. 8063-07-8 Density 1.62 g/cm3
Solubility Melting Point
Formula C18H36N4O11 Boiling Point 809.5 °C at 760 mmHg
Molecular Weight 484.5 Flash Point 443.4 °C
Transport Information Appearance
Safety 36/37/39-45-53 Risk Codes 61
Molecular Structure Molecular Structure of 8063-07-8 (Kanabristol) Hazard Symbols
Synonyms

(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-a-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-a-D-glucopyranoside;(1S,2R,3R,4S,6R)-4,6-Diamino-3-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside;Cantrex;Cristalomicina;Kanacedin;

 

Kanabristol Specification

The Kanabristol, with the CAS registry number 8063-07-8 and EINECS registry number 232-512-7, has the systematic name of (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside. It is a kind of stable chemical, and it is incompatible with strong oxidizing agents. The molecular formula of the chemical is C18H36N4O11. What's more, it should be stored at 2-8°C.

The characteristics of Kanabristol are as followings: (1)ACD/LogP: -2.58; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -8.48; (4)ACD/LogD (pH 7.4): -6.83; (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: 15; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 114.49 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 111.14 cm3; (15)Molar Volume: 297.5 cm3; (16)Polarizability: 44.05×10-24cm3; (17)Surface Tension: 104.4 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 443.4 °C; (20)Enthalpy of Vaporization: 134 kJ/mol; (21)Boiling Point: 809.5 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-30 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It may cause harm to the unborn child. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Avoid exposure - obtain special instruction before use.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
(2)InChI: InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
(3)InChIKey: SBUJHOSQTJFQJX-NOAMYHISBU

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