Basic information
- Name:
Glucuronic acid, monosodium salt
- CAS No.:
7182-77-6
- Molecular Structure:
- Formula:
- C6H10O7.Na
- Molecular Weight:
- 217.12
- Synonyms:
- Glucuronic acid,monosodium salt (8CI);
- Boiling Point:
- 553.4 °C at 760 mmHg
- Flash Point:
- 302.6 °C
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Specification
This chemical is called Glucuronic acid, monosodium salt, and it can also be named as Monosodium glucuronate. With the molecular formula of C6H10O7.Na, its molecular weight is 217.12. The CAS registry number of this chemical is 7182-77-6.
Other characteristics of the Glucuronic acid, monosodium salt can be summarised as followings: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.25; (4)ACD/LogD (pH 7.4): -5.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 91.29 Å2; (13)Flash Point: 302.6 °C; (14)Enthalpy of Vaporization: 95.88 kJ/mol; (15)Boiling Point: 553.4 °C at 760 mmHg; (16)Vapour Pressure: 1.49E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[O-]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O
2.InChI: InChI=1/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3+,4-,5-;/m0./s1
3.InChIKey: WNFHGZLVUQBPMA-SMXNMWSLBD