CAS No.1198-69-2,D-Gluconic acid, .gamma.-lactone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1198-69-2
Name:	D-Gluconic acid, .gamma.-lactone
Article Data:	27

Formula:	C₆H₁₀O₆
Molecular Weight:	178.142
Synonyms:	Gluconic acid, γ-lactone;Glucono-g-lactone;Gluconicacid, γ-lactone, D- (8CI);1,4-D-Gluconolactone;1,4-Gluconolactone;D-Glucono-1,4-lactone;D-Glucono-g-lactone;(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxydihydrofuran-2(3H)-one;
Density:	1.766 g/cm³
Melting Point:	134-135 °C
Boiling Point:	467.9 °C at 760 mmHg
Flash Point:	201.5 °C
PSA:	107.22000
LogP:	-3.01320

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Specification

The D-Gluconic acid, γ-lactone, with the CAS registry number 1198-69-2, is also called (3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxydihydrofuran-2(3H)-one. And the molecular formula of this chemical is C₆H₁₀O₆.

The physical properties of D-Gluconic acid, γ-lactone are as following: (1)ACD/LogP: -3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.15; (4)ACD/LogD (pH 7.4): -3.15; (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: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 35.66 cm³; (15)Molar Volume: 100.8 cm³; (16)Polarizability: 14.13×10^-24cm³; (17)Surface Tension: 109.3 dyne/cm; (18)Density: 1.766 g/cm³; (19)Flash Point: 201.5 °C; (20)Enthalpy of Vaporization: 84.17 kJ/mol; (21)Boiling Point: 467.9 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
(2)InChI: InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1
(3)InChIKey: SXZYCXMUPBBULW-TXICZTDVBT