Menisdaurin supplier | CasNO.67765-58-6

Name
menisdaurin
EINECS
CAS No. 67765-58-6
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₇
Boiling Point 632.9 °C at 760 mmHg
Molecular Weight 313.307
Flash Point 336.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetonitrile, ((4S,6R)-6-(beta-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene)-, (2Z)-;MENISDAURIN;Acetonitrile,[(4S,6R)-6-(a-Dglucopyranosyloxy)- 4-hydroxy-2-cyclohexen- 1-ylidene]-,(2Z)-;(2Z)-2-[4-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-cyclohex-2-enylidene]acetonitrile;
PSA 143.40000
LogP -2.05772

Menisdaurin Specification

This chemical is called Menisdaurin, and its IUPAC name is (2Z)-2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile. With the molecular formula of C₁₄H₁₉NO₇, its molecular weight is 313.30. The CAS registry number of this chemical is 67765-58-6.

Other characteristics of Menisdaurin can be summarised as followings: (1)ACD/LogP: -3.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -3.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 88.4 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 73.32 cm³; (15)Molar Volume: 206.1 cm³; (16)Polarizability: 29.06×10^-24cm³; (17)Surface Tension: 83.9 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 336.6 °C; (20)Enthalpy of Vaporization: 107.23 kJ/mol; (21)Boiling Point: 632.9 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#C\C=C2\C=C/[C@@H](O)C[C@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
2.InChI: InChI=1/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9-,10-,11-,12+,13-,14-/m1/s1
3.InChIKey: UTHVFIKQCUKKQW-YIVVZXMPBF
4.Std. InChI: InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9-,10-,11-,12+,13-,14-/m1/s1
5.Std. InChIKey: UTHVFIKQCUKKQW-YIVVZXMPSA-N

Product Name

menisdaurin

Menisdaurin Specification

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