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Adipate(2-)

Adipate(2-) structure

CAS No:
764-65-8
Formula:
C6H8O4
Chemical Name:
Adipate(2-)
Synonyms:
Hexanedioic acid,ion(2-);Adipate dianion;Adipic acid ion (2-);Adipate(2-);Adipate

Description

Adipate(2-) is a dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of an adipate(1-).

Adipate(2-) Basic Attributes

Molecular Weight：

144.12 g/mol

Exact Mass：

144.04225873 g/mol

UNII：

U3YC62H084

DSSTox ID：

DTXSID00227230

Characteristics

PSA：

80.3 Å²

Collision Cross Section：

136 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.5 Å² [M-H]-

Drug Information

MeSH Entry Terms：

adipate

Computed Properties

Molecular Weight:144.12
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:144.04225873
Monoisotopic Mass:144.04225873
Topological Polar Surface Area:80.3
Heavy Atom Count:10
Formal Charge:-2
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dinitrogen pentoxide; molecular formula of ethanol; 1-bromo-2-methylpropane; drospirenone-ethinyl estradiol; sds for hexanes; sulpiride

Guide of Adipate(2-)

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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