CAS No.18422-53-2,1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18422-53-2
Name:	1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose
Article Data:	58

Formula:	C₁₂H₁₈O₆
Molecular Weight:	258.271
Synonyms:	D-erythro-2,3-Hexodiulo-2,6-pyranose,1,2:4,5-di-O-isopropylidene-, b- (8CI);Spiro[1,3-dioxolane-4,6'-[6H-1,3]dioxolo[4,5-c]pyran], b-D-erythro-2,3-hexodiulo-2,6-pyranosederiv.;1,2:4,5-Di-O-isopropylidene-b-D-erythro-hexo-2,3-diulo-2,6-pyranose;D-Epoxone;Epoxone;
Density:	1.28 g/cm³
Melting Point:	102-104 °C(lit.)
Boiling Point:	341.9 °C at 760 mmHg
Flash Point:	150 °C
Safety:	22-24/25
PSA:	63.22000
LogP:	0.58500

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Specification

The 1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose, with the CAS registry number 18422-53-2, has the molecular formula C₁₂H₁₈O₆. In addition, its molecular weight is 258.27. Its systematic name is called (3a'R,4S,7a'R)-2,2,2',2'-tetramethyldihydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran]-7'(4'H)-one (non-preferred name). When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting it with skin and eyes.

Physical properties of 1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 293.11; (6)ACD/BCF (pH 7.4): 293.11; (7)ACD/KOC (pH 5.5): 2030.04; (8)ACD/KOC (pH 7.4): 2030.04; (9)#H bond acceptors: 6; (10)Index of Refraction: 1.511; (11)Molar Refractivity: 60.28 cm³; (12)Molar Volume: 201.1 cm³; (13)Surface Tension: 42.5 dyne/cm; (14)Density: 1.28 g/cm³; (15)Melting Point: 102-104 °C(lit.); (16)Flash Point: 150 °C; (17)Enthalpy of Vaporization: 58.56 kJ/mol; (18)Boiling Point: 341.9 °C at 760 mmHg; (19)Vapour Pressure: 7.81E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2[C@]1(OC(OC1)(C)C)OC[C@H]3OC(O[C@@H]23)(C)C
(2)InChI: InChI=1/C12H18O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-8H,5-6H2,1-4H3/t7-,8-,12+/m1/s1
(3)InChIKey: IVWWFWFVSWOTLP-RWYTXXIDBU