Cas no 134885-74-8 (potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2)
134885-74-8 structure
Product Name:potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2
CAS No:134885-74-8
MF:C42H59KNa2O16
MW:904.986117601395
CID:1236518
PubChem ID:3077623
Update Time:2025-04-20
potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2 Chemical and Physical Properties
Names and Identifiers
-
- potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2
- LogP
- potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2
- potassium,disodium,6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyo
- DTXSID90928800
- Potassium disodium salt of beta-glycyrrhizic acid
- 134885-74-8
- alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-, monopotassium disodium salt
- Potassium sodium 2-[(4-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate (1/2/1)
- beta-Glycyrrhizic acid potassium disodium salt
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- Inchi: 1S/C42H62O16.K.2Na/c1-37(2)15-18(55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50)16-40(5)22(37)8-9-42(7)31(40)21(43)14-19-20-17-39(4,36(53)54)11-10-38(20,3)12-13-41(19,42)6;;;/h14,18,20,22-31,34-35,44-48H,8-13,15-17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;/q;3*+1/p-3
- InChI Key: PXNYUXNUUBANNI-UHFFFAOYSA-K
- SMILES: [K+].[Na+].[Na+].O(C1C(C(C(C(C(=O)[O-])O1)OC1C(C(C(C(C(=O)[O-])O1)O)O)O)O)O)C1CC(C)(C)C2CCC3(C)C4(C)CCC5(C)CCC(C(=O)[O-])(C)CC5C4=CC(C3C2(C)C1)=O
Computed Properties
- Exact Mass: 904.32367
- Monoisotopic Mass: 904.32355584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 61
- Rotatable Bond Count: 4
- Complexity: 1710
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 19
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 276?2
Experimental Properties
- PSA: 275.53
potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2 Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
134885-74-8 (potassium disodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2) Related Products
- 68797-35-3(Dipotassium Glycyrrhizinate)
- 911217-00-0(a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl-, monoammoniumsalt, trihydrate (9CI))
- 77710-64-6(11a-Hydroxy Progesterone b-D-Glucuronide)
- 71277-78-6(Trisodium glycyrrhizinate)
- 53956-04-0(Ammonium glycyrrhizinate)
- 104191-95-9(a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-)
- 79165-06-3(Diammonium glycyrrhizinate)
- 1405-86-3(Glycyrrhizic acid)
- 34096-83-8(Glycyrrhetic acid 3-O-β-D-glucuronide)
- 1180-25-2(b-D-Glucopyranosiduronic acid, (17b)-3-oxoandrost-4-en-17-yl)
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