Didymin supplier | CasNO.14259-47-3

Name
DIDYMIN
EINECS 238-139-6
CAS No. 14259-47-3
Density 1.59 g/cm³
Solubility
Melting Point 211-213°C
Formula C₂₈H₃₄O₁₄
Boiling Point 896.6 °C at 760 mmHg
Molecular Weight 594.56
Flash Point 295.3 °C
Transport Information
Appearance faintly beige powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-,(S)-;Didymin (8CI);Flavanone, 5,7-dihydroxy-4'-methoxy-, 7b-rutinoside (7CI);4'-Methoxy-5,7-dihydroxyflavanone 7-O-rutinoside;Didymine;Isosakuranetin 7-rutinoside;Neoponcirin;
PSA 214.06000
LogP -0.86220

Didymin Specification

This chemical is called Didymin, and its IUPAC name is 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one. With the molecular formula C₂₈H₃₄O₁₄,its molecular weight is 594.56. The CAS registry number of this chemical is 14259-47-3, and its product category is Flavanones. Do not breathe dust and avoid contacting with skin and eyes when you use it.

Other characteristics of the Didymin can be summarised as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 67.63; (6)ACD/BCF (pH 7.4): 25.09; (7)ACD/KOC (pH 5.5): 706.17; (8)ACD/KOC (pH 7.4): 261.98; (9)#H bond acceptors: 14; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 214.06 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 140.46 cm³; (15)Molar Volume: 372.5 cm³; (16)Polarizability: 55.68×10^-24cm³; (17)Surface Tension: 89.7 dyne/cm; (18)Density: 1.59 g/cm³; (19)Flash Point: 295.3 °C; (20)Enthalpy of Vaporization: 136.53 kJ/mol; (21)Boiling Point: 896.6 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-34 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O
(2)InChI: InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Product Name

DIDYMIN

Didymin Specification

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