Piceoside tetraacetate supplier

Name
Piceoside Tetraacetate
EINECS
CAS No. 25876-45-3
Article Data14
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 171-173 °C
Formula C₂₂H₂₆O₁₁
Boiling Point 552.658 °C at 760 mmHg
Molecular Weight 466.442
Flash Point 237.098 °C
Transport Information
Appearance Yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetylphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside;1-[4-[(2,3,4,6-Tetra-O-acetyl--D-glucopyranosyl)oxy]phenyl]ethanone;Picein Tetraacetate;
PSA 140.73000
LogP 1.35110

Piceoside tetraacetate Specification

The Piceoside tetraacetate with CAS registry number of 25876-45-3 is also known as 1-[4-[(2,3,4,6-Tetra-O-acetyl--D-glucopyranosyl)oxy]phenyl]ethanone. The systematic name is 4-Acetylphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside. It belongs to product categories of Carbohydrates & Derivatives; Glucuronides. In addition, the formula is C₂₂H₂₆O₁₁ and the molecular weight is 466.44. This chemical is a yellow solid.

Physical properties about Piceoside tetraacetate are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 49; (7)ACD/KOC (pH 5.5): 568; (8)ACD/KOC (pH 7.4): 568; (9)#H bond acceptors: 11; (10)#Freely Rotating Bonds: 12; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 109.707 cm³; (13)Molar Volume: 356.162 cm³; (14)Surface Tension: 50.864 dyne/cm; (15)Density: 1.31 g/cm³; (16)Flash Point: 237.098 °C; (17)Enthalpy of Vaporization: 83.328 kJ/mol; (18)Boiling Point: 552.658 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(c2ccc(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)cc2)C
2. InChI: InChI=1/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1
3. InChIKey: DWFUJLNDNATWOD-QMCAAQAGBH
4. Std. InChI: InChI=1S/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1
5. Std. InChIKey: DWFUJLNDNATWOD-QMCAAQAGSA-N

Product Name

Piceoside Tetraacetate

Piceoside tetraacetate Specification

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