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52579-97-2

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Basic Information
CAS No.: 52579-97-2
Name: 1,6-ANHYDRO-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSE
Article Data: 10
Molecular Structure:
Molecular Structure of 52579-97-2 (1,6-ANHYDRO-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSE)
Formula: C9H14O5
Molecular Weight: 202.207
Synonyms: Galactopyranose,1,6-anhydro-3,4-O-isopropylidene-, b-D- (6CI);4,7-Epoxy-1,3-dioxolo[4,5-d]oxepin, b-D-galactopyranose deriv.;1,6-Anhydro-3,4-O-isopropylidene-b-D-galactopyranose;NSC 1389;
Density: 1.289g/cm3
Melting Point: 145-146°C
Boiling Point: 340.6 °C at 760 mmHg
Flash Point: 159.8 °C
PSA: 57.15000
LogP: -0.37750
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Specification

The β-D-Galactopyranose,1,6-anhydro-3,4-O-(1-methylethylidene)-, with CAS registry number 52579-97-2, belongs to the following product category: Carbohydrates & Derivatives. It has the systematic name of 4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (non-preferred name). This chemical is a kind of white crystals. And the chemical formula of this chemical is C9H14O5.

Physical properties of β-D-Galactopyranose,1,6-anhydro-3,4-O-(1-methylethylidene)-: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.15 Å2; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 45.71 cm3; (9)Molar Volume: 156.7 cm3; (10)Polarizability: 18.12×10-24cm3; (11)Surface Tension: 44.9 dyne/cm; (12)Density: 1.289 g/cm3; (13)Flash Point: 159.8 °C; (14)Enthalpy of Vaporization: 67.67 kJ/mol; (15)Boiling Point: 340.6 °C at 760 mmHg; (16)Vapour Pressure: 5.63E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OC3C1C(O)C2OC3CO2)(C)C
(2)InChI: InChI=1/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3
(3)InChIKey: IQSQTOWMVAKJTC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3
(5)Std. InChIKey: IQSQTOWMVAKJTC-UHFFFAOYSA-N