Name: ALLYL-BETA-D-GALACTOPYRANOSIDE
SKU: 2595-07-5

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Basic Information

Molecular Structure:
CAS No.:	2595-07-5
Name:	ALLYL-BETA-D-GALACTOPYRANOSIDE
Article Data:	1

Formula:	C₉H₁₆O₆
Molecular Weight:	220.222
Synonyms:	Galactopyranoside,allyl (7CI);Galactopyranoside, allyl, b-D, b-D- (8CI);b-D-Galactopyranoside,2-propenyl (9CI);Allyl b-D-galactopyranoside;
EINECS:	1533716-785-6
Density:	1.37g/cm³
Boiling Point:	415 °C at 760 mmHg
Flash Point:	204.8 °C
PSA:	99.38000
LogP:	-2.01110

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Specification

The Allyl-beta-galactopyranoside, with CAS registry number 2595-07-5, has the systematic name of prop-2-en-1-yl D-galactopyranoside. And its IUPAC name is (2R,3R,4S,5R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol. Besides this, it is also called D-galactopyranoside, 2-propen-1-yl.

Physical properties of Allyl-beta-galactopyranoside: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.31; (8)ACD/KOC (pH 7.4): 2.31; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.95 cm³; (15)Molar Volume: 159.9 cm³; (16)Polarizability: 20.19×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Enthalpy of Vaporization: 77.18 kJ/mol; (19)Vapour Pressure: 1.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C/C=C)C1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9?/m1/s1
(3)InChIKey: XJNKZTHFPGIJNS-MBOVONDJBZ
(4)Std. InChI: InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9?/m1/s1
(5)Std. InChIKey: XJNKZTHFPGIJNS-MBOVONDJSA-N