2-Pyridinylmethyl beta-D-glucopyranoside supplier

Name
2-Pyridinylmethyl beta-D-glucopyranoside
EINECS
CAS No. 679412-99-8
Density 1.469 g/cm³
Solubility
Melting Point 114-116 °C
Formula C₁₂H₁₇NO₆
Boiling Point 494.507 °C at 760 mmHg
Molecular Weight 271.27
Flash Point 252.869 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms β-D-Glucopyranoside, 2-pyridinylmethyl;2-Pyridinylmethyl beta-D-glucopyranoside;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(pyridin-2-ylmethoxy)oxane-3,4,5-triol
PSA
LogP

2-Pyridinylmethyl beta-D-glucopyranoside Specification

This chemical is called 2-Pyridinylmethyl beta-D-glucopyranoside, and its systematic name is pyridin-2-ylmethyl β-D-glucopyranoside. With the molecular formula C₁₂H₁₇NO₆, its molecular weight is 271.27. The CAS registry number of this chemical is 679412-99-8.

Other characteristics of the 2-Pyridinylmethyl beta-D-glucopyranoside can be summarised as followings: (1)ACD/LogP: -1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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): 2; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 112.27 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 64.433 cm³; (15)Molar Volume: 184.662 cm³; (16)Polarizability: 25.543×10^-24cm³; (17)Surface Tension: 77.954 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 252.869 °C; (20)Enthalpy of Vaporization: 80.236 kJ/mol; (21)Boiling Point: 494.507 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H]2O[C@@H](OCc1ccccn1)[C@H](O)[C@@H](O)[C@@H]2O
(2)InChI: InChI=1/C12H17NO6/c14-5-8-9(15)10(16)11(17)12(19-8)18-6-7-3-1-2-4-13-7/h1-4,8-12,14-17H,5-6H2/t8-,9-,10+,11-,12-/m1/s1
(3)InChIKey: RPWCULSOCKDHSN-RMPHRYRLBG
(4)Std. InChI: InChI=1S/C12H17NO6/c14-5-8-9(15)10(16)11(17)12(19-8)18-6-7-3-1-2-4-13-7/h1-4,8-12,14-17H,5-6H2/t8-,9-,10+,11-,12-/m1/s1
(5)Std. InChIKey: RPWCULSOCKDHSN-RMPHRYRLSA-N

Product Name

2-Pyridinylmethyl beta-D-glucopyranoside

2-Pyridinylmethyl beta-D-glucopyranoside Specification

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