CAS No.103529-94-8,Apiosylskimmin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103529-94-8
Name:	Apiosylskimmin

Formula:	C₂₀H₂₄O₁₂
Molecular Weight:	456.403
Synonyms:	Adicardin;Apiosylskimmin;
Density:	1.68 g/cm³
Melting Point:	201-202℃
Boiling Point:	804.4 °C at 760 mmHg
Flash Point:	284 °C
PSA:	188.51000
LogP:	-2.56340

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Specification

The systematic name of 2H-1-Benzopyran-2-one,7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]- is 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxychromen-2-one. With the CAS registry number 103529-94-8, it is also named as Apiosylskimmin. In addition, its molecular formula is C₂₀H₂₄O₁₂ and molecular weight is 456.398.

The other characteristics of 2H-1-Benzopyran-2-one,7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]- can be summarized as: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 12; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 12; (5)Polar Surface Area: 184.6 Å²; (6)Index of Refraction: 1.686; (7)Molar Refractivity: 103.24 cm³; (8)Molar Volume: 271.2 cm³; (9)Polarizability: 40.92×10^-24cm³; (10)Surface Tension: 97 dyne/cm; (11)Density: 1.68 g/cm³; (12)Flash Point: 284 °C; (13)Enthalpy of Vaporization: 122.64 kJ/mol; (14)Boiling Point: 804.4 °C at 760 mmHg; (15)Vapour Pressure: 2.54E-27 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(cc2c1ccc(=O)o2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O
(2)InChI: InChI=1/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1
(3)InChIKey: SXPBJYHKMRWZNA-ZITSYKRSBT
(4)Std. InChI: InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1
(5)Std. InChIKey: SXPBJYHKMRWZNA-ZITSYKRSSA-N