Epicatechin pentaacetate supplier

Name
(-)-Epicatechin-pentaacetate
EINECS
CAS No. 20194-41-6
Article Data26
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point 150-152 °C
Formula C₂₅H₂₄O₁₁
Boiling Point 624.2 °C at 760 mmHg
Molecular Weight 500.459
Flash Point 266.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Isoindol-1-one,3,3,4,5,6,7-hexachloro-2,3-dihydro;3,5,7,3',4'-pentaacetyl epicatechin;3,3,4,5,6,7-Hexachlorisoindolin-1-on;
PSA 140.73000
LogP 2.99570

Epicatechin pentaacetate Specification

The Epicatechin pentaacetate, with the CAS registry number 20194-41-6, is also known as (-)-Epicatechin-pentaacetate. This chemical's molecular formula is C₂₅H₂₄O₁₁ and molecular weight is 500.4515. Its systematic name is called (2R,3R)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triyl triacetate.

Physical properties of Epicatechin pentaacetate: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.92; (6)ACD/BCF (pH 7.4): 3.92; (7)ACD/KOC (pH 5.5): 92.57; (8)ACD/KOC (pH 7.4): 92.57; (9)#H bond acceptors: 11; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 120.56 cm³; (13)Molar Volume: 362.5 cm³; (14)Surface Tension: 58.7 dyne/cm; (15)Density: 1.38 g/cm³; (16)Flash Point: 266.7 °C; (17)Enthalpy of Vaporization: 92.43 kJ/mol; (18)Boiling Point: 624.2 °C at 760 mmHg; (19)Vapour Pressure: 1.69E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1OC(=O)C)[C@H]3Oc2cc(OC(=O)C)cc(OC(=O)C)c2C[C@H]3OC(=O)C)C
(2)InChI: InChI=1/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25-/m1/s1
(3)InChIKey: BKYWAYNSDFXIPL-JWQCQUIFBX

Product Name

(-)-Epicatechin-pentaacetate

Epicatechin pentaacetate Specification

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