Nodakenin supplier | CasNO.495-31-8

Name
Nodakenin
EINECS
CAS No. 495-31-8
Article Data3
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point melting at 216°
Formula C₂₀H₂₄O₉
Boiling Point 635.4 °C at 760 mmHg
Molecular Weight 408.405
Flash Point 225.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7H-Furo[3,2-g][1]benzopyran-7-one,2-[1-(b-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-,(R)-;Nodakenin (8CI);(+)-Marmesinin;Nodakenetin, b-D-glucopyranoside;(2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one;
PSA 138.82000
LogP -0.30840

Nodakenin Specification

The Nodakenin, with the CAS registry number 495-31-8, is also known as 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (2R)-. This chemical's molecular formula is C₂₀H₂₄O₉ and molecular weight is 408.4. Its IUPAC name is called (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.

Physical properties about Nodakenin are: (1)ACD/LogP: -0.66; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.38; (7)ACD/KOC (pH 7.4): 10.38; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 98.44 cm³; (13)Molar Volume: 269.5 cm³; (14)Surface Tension: 76.3 dyne/cm; (15)Density: 1.51 g/cm³; (16)Flash Point: 225.4 °C; (17)Enthalpy of Vaporization: 98.69 kJ/mol; (18)Boiling Point: 635.4 °C at 760 mmHg; (19)Vapour Pressure: 5.12E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2Oc1cc3OCC(c3cc1/C=C/2)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C
(2)InChI: InChI=1/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)14(7-21)28-19)11-8-26-13-6-12-9(5-10(11)13)3-4-15(22)27-12/h3-6,11,14,16-19,21,23-25H,7-8H2,1-2H3/t11?,14-,16-,17+,18-,19+/m1/s1
(3)InChIKey: VZHKHKSASHTEAE-HITRCLMTBV

Product Name

Nodakenin

Nodakenin Specification

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