1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose supplier

Name
1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose
EINECS
CAS No. 18422-53-2
Article Data58
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 102-104 °C(lit.)
Formula C₁₂H₁₈O₆
Boiling Point 341.9 °C at 760 mmHg
Molecular Weight 258.271
Flash Point 150 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 63.22000
LogP 0.58500

1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose 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

Product Name

1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose

1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose Specification

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