CAS No.89590-95-4,Mogroside IV Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89590-95-4
Name:	Mogroside IV

Formula:	C₅₄H₉₂O₂₄
Molecular Weight:	1125.31
Synonyms:	Mogroside IV
Density:	1.469 g/cm³
Boiling Point:	1179.254 °C at 760 mmHg
Flash Point:	666.989 °C
PSA:	397.52000
LogP:	-3.23180

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Specification

The Mogroside IV, with the CAS registry number 89590-95-4, is also known as β-D-Glucopyranoside, (1R,4R)-4-[(3β,8α,9β,10α,11α)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydroxy-1-methylethyl)pentyl 2-O-β-L-glucopyranosyl-. This chemical's molecular formula is C₅₄H₉₂O₂₄ and molecular weight is 1125.31. What's more, its systematic name is called (1S,4R,8β,9β,11α,17ξ,24R)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-β-L-glucopyranosyl-β-D -glucopyranoside. Mogrosides have been investigated as possible anticancer agents.

Physical properties about Mogroside IV are: (1)ACD/LogP: 1.402; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.40; (4)ACD/LogD (pH 7.4): 1.40; (5)ACD/BCF (pH 5.5): 6.85; (6)ACD/BCF (pH 7.4): 6.85; (7)ACD/KOC (pH 5.5): 137.83; (8)ACD/KOC (pH 7.4): 137.83; (9)#H bond acceptors: 24; (10)#H bond donors: 16; (11)#Freely Rotating Bonds: 33; (12)Polar Surface Area: 397.52 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 273.38 cm³; (15)Molar Volume: 766.107 cm³; (16)Polarizability: 108.376×10^-24cm³; (17)Surface Tension: 81.65 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 666.989 °C; (20)Enthalpy of Vaporization: 197.062 kJ/mol; (21)Boiling Point: 1179.254 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C3CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C)O)C)C
(2) InChI: InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)77-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23?,25-,26-,27+,28-,29-,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49+,52+,53-,54+/m1/s1
(3) InChIKey: WRPAFPPCKSYACJ-LTIAYRASSA-N