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2-Oxoadipic acid

2-Oxoadipic acid structure

CAS No:
3184-35-8
Formula:
C6H8O5
Chemical Name:
2-Oxoadipic acid
Synonyms:
Hexanedioic acid,2-oxo-;2-Oxohexanedioic acid;α-Ketoadipic acid;α-Oxoadipic acid;2-Oxoadipic acid;2-Ketoadipic acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.

Solid

2-oxoadipic acid is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a mouse metabolite and a human urinary metabolite. It derives from an adipic acid. It is a conjugate acid of a 2-oxoadipate(2-).

2-Oxoadipic acid Basic Attributes

Molecular Weight：

160.12500

Exact Mass：

160.12

UNII：

BB72FKL1M2

DSSTox ID：

DTXSID20185702

HScode：

2918300090

Characteristics

PSA：

91.67000

XLogP3：

-0.5

Appearance：

Solid

Density：

1.405g/cm3

Melting Point：

124 °C

Boiling Point：

364.3ºC at 760mmHg

Flash Point：

188.3ºC

Refractive Index：

1.491

Collision Cross Section：

129.65 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.9 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|126.5 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.2 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.6 Å² [M-2H+Na]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-oxoadipic acid

2-Oxoadipic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Computed Properties

Molecular Weight:160.12
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:160.03717335
Monoisotopic Mass:160.03717335
Topological Polar Surface Area:91.7
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Oxoadipic acid

Tianjin Jinshu Technology Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Distributor Supplier of peptone

High purity 2-Oxoadipic acid human with Safe Delivery

CAS No.: 3184-35-8

Grade: Industrial Grade

Content: 99%

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