5-[(1S,3aR,4R,6aR)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole supplier

Name
SESAMOLIN
EINECS
CAS No. 526-07-8
Density 1.418g/cm³
Solubility
Melting Point 93 - 94oC (Decomposes)
Formula C₂₀H₁₈O₇
Boiling Point 520.8 °C at 760 mmHg
Molecular Weight 370.359
Flash Point 219.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzodioxole,5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-,(1S,3aR,4R,6aR)- (9CI);1,3-Benzodioxole,5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, [1S-(1a,3aa,4a,6aa)]-;1H,3H-Furo[3,4-c]furan,tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-,(1R,3aR,4S,6aR)- (8CI);Sesamolin (6CI,7CI);1H,3H-Furo[3,4-c]furan,1,3-benzodioxole deriv.;(+)-Sesamolin;2-(3,4-Methylenedioxyphenoxy)-6-(3,4-methylenedioxyphenyl)-cis-3,7-dioxabicyclo[3.3.0]octane;Tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1H,3H-furo[3,4-c]furan;Sesamolin;
PSA 64.61000
LogP 2.88300

5-[(1S,3aR,4R,6aR)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole Specification

The 1,3-Benzodioxole,5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, with CAS registry number 526-07-8, has the systematic name of 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole. And the chemical formula of this chemical is C₂₀H₁₈O₇.

Physical properties of 1,3-Benzodioxole,5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.28; (6)ACD/BCF (pH 7.4): 90.28; (7)ACD/KOC (pH 5.5): 873.82; (8)ACD/KOC (pH 7.4): 873.82; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.61 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 91.99 cm³; (15)Molar Volume: 261 cm³; (16)Polarizability: 36.47×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.418 g/cm³; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 76.39 kJ/mol; (21)Boiling Point: 520.8 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O6[C@H](c2ccc1OCOc1c2)[C@@H]5[C@@H]([C@@H](Oc4ccc3OCOc3c4)OC5)C6
(2)InChI: InChI=1/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
(3)InChIKey: ZZMNWJVJUKMZJY-AFHBHXEDBO
(4)Std. InChI: InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
(5)Std. InChIKey: ZZMNWJVJUKMZJY-AFHBHXEDSA-N

Product Name

SESAMOLIN

5-[(1S,3aR,4R,6aR)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole Specification

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