CAS No.517-43-1,SENNOSIDES (250 MG) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	517-43-1
Name:	SENNOSIDES (250 MG)

Formula:	C₄₂H₃₈O₂₀
Molecular Weight:	862.752
Synonyms:	Sennoside(8CI);Sennosides;Sennaglucosides;5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid;
EINECS:	208-238-9
Density:	1.743 g/cm³
Boiling Point:	1144.8 °C at 760 mmHg
Flash Point:	348.6 °C
PSA:	347.96000
LogP:	-1.09560

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Specification

The IUPAC name of Sennosides is 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid. With the CAS registry number 517-43-1, it is also named as Sennaglucosides. The product's classification codes are Cathartics; Gastrointestinal Agents; Reproductive Effect. In addition, its molecular formula is C₄₂H₃₈O₂₀ and its molecular weight is 862.74. Besides, this chemical is used as a laxative.

The other characteristics of Sennosides can be summarized as: (1)EINECS: 208-238-9; (2)ACD/LogP: 1.88; (3)# of Rule of 5 Violations: 3; (4)ACD/LogD (pH 5.5): -1.74; (5)ACD/LogD (pH 7.4): -2.42; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 20; (11)H bond donors: 12; (12)Freely Rotating Bonds: 19; (13)Polar Surface Area: 215.96 Å²; (14)Index of Refraction: 1.762; (15)Molar Refractivity: 204.15 cm³; (16)Molar Volume: 494.8 cm³; (17)Polarizability: 80.93×10^-24cm³; (18)Surface Tension: 107.1 dyne/cm; (19)Density: 1.743 g/cm³; (20)Flash Point: 348.6 °C; (21)Enthalpy of Vaporization: 176.89 kJ/mol; (22)Boiling Point: 1144.8 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)c3cc(O)c4C(=O)c2c(cccc2OC1OC(CO)C(O)C(O)C1O)C(c4c3)C8c6c(c(OC5OC(C(O)C(O)C5O)CO)ccc6)C(=O)c7c8cc(C(=O)O)cc7O
(2)InChI:InChI=1/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)
(3)InChIKey:IPQVTOJGNYVQEO-UHFFFAOYAP