Name: PHENYLETHYL-BETA-D-GALACTOSIDE
SKU: 14861-16-6

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Basic Information

Molecular Structure:
CAS No.:	14861-16-6
Name:	PHENYLETHYL-BETA-D-GALACTOSIDE
Article Data:	19

Formula:	C₁₄H₂₀O₆
Molecular Weight:	284.309
Synonyms:	Galactopyranoside,phenethyl, b-D- (8CI);2-Phenylethyl b-D-galactoside;Phenethyl b-D-galactopyranoside;Phenethyl b-D-galactoside;
EINECS:	238-931-1
Density:	1.36 g/cm³
Boiling Point:	486.8 °C at 760 mmHg
Flash Point:	248.2 °C
PSA:	99.38000
LogP:	-0.95440

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Specification

The IUPAC name of Phenylethyl beta-D-galactopyranoside is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenethyloxyoxane-3,4,5-triol. With the CAS registry number 14861-16-6, it is also named as Galactopyranoside,phenethyl, beta-D- (8CI). The product should be stored at temperature of -20 °C. In addition, its molecular formula is C₁₄H₂₀O₆ and its molecular weight is 284.3.

The other characteristics of Phenylethyl beta-D-galactopyranoside can be summarized as: (1)EINECS: 238-931-1; (2)ACD/LogP: -0.50; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.5; (5)ACD/LogD (pH 7.4): -0.5; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 12.77; (9)ACD/KOC (pH 7.4): 12.77; (10)H bond acceptors: 6; (11)H bond donors: 4; (12)Freely Rotating Bonds: 9; (13)Polar Surface Area: 55.38 Å²; (14)Index of Refraction: 1.6; (15)Molar Refractivity: 71.26 cm³; (16)Molar Volume: 208 cm³; (17)Polarizability: 28.25×10^-24cm³; (18)Surface Tension: 66.1 dyne/cm; (19)Density: 1.36 g/cm³; (20)Flash Point: 248.2 °C; (21)Enthalpy of Vaporization: 79.27 kJ/mol; (22)Boiling Point: 486.8 °C at 760 mmHg; (23)Vapour Pressure: 2.73E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(CCc1ccccc1)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
(2)InChI:InChI=1/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1
(3)InChIKey:MLRIJUWUQTVDQE-MBJXGIAVBO
(4)Std. InChI:InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1
(5)Std. InChIKey:MLRIJUWUQTVDQE-MBJXGIAVSA-N