CAS No.79165-06-3,Diammonium glycyrrhizinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79165-06-3
Name:	Diammonium glycyrrhizinate

Formula:	C₄₂H₆₈N₂O₁₆
Molecular Weight:	839.975
Synonyms:	a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-,diammonium salt (9CI);18b-Glycyrrhizic acid diammoniumsalt;Diammonium glycyrrhizinate;Glycyrrhizic acid, diammonium salt;
EINECS:	1308068-626-2
Boiling Point:	1021.4 °C at 760 mmHg
Flash Point:	571.5 °C
PSA:	273.52000
LogP:	2.89340

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Specification

The Diammonium glycyrrhizinate, with the CAS registry number 79165-06-3, is also known as 18a-Diammonium glycyrrhizinate. This chemical's molecular formula is C₄₂H₆₈N₂O₁₆ and molecular weight is 856.99312. What's more, its systematic name is called (3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid diammoniate.

Physical properties about Diammonium glycyrrhizinate are: (1) #H bond acceptors: 18; (2) #H bond donors: 14; (3) #Freely Rotating Bonds: 12;(4) Polar Surface Area: 185.52 Å²; (5) Flash Point: 571.5 °C; (6) Enthalpy of Vaporization: 168.98 kJ/mol; (7) Boiling Point: 1021.4 °C at 760 mmHg; (8) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N.N
(2) InChI: InChI=1S/C42H62O16.2H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24
(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);2*1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
(3) InChIKey: SPPIIOPGDLITJE-VLQRKCJKSA-N