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6-Phosphogluconic acid

6-Phosphogluconic acid structure

CAS No:
921-62-0
Formula:
C6H13O10P
Chemical Name:
6-Phosphogluconic acid
Synonyms:
D-Gluconic acid,6-(dihydrogen phosphate);Gluconic acid,6-(dihydrogen phosphate),D-;6-Phosphogluconic acid;6-Phospho-D-gluconic acid;D-Gluconic acid 6-phosphate;2464-13-3
Categories:
Biochemical Engineering > Saccharides

Description

6-Phosphogluconic acid is a potent and competitive phosphoglucose isomerase (PGI) inhibitor with Kis of 48 μM for glucose 6-phosphate and 42 μM for fructose 6-phosphate. 6-Phosphogluconic acid is an endogenous metabolite[1][2].

Solid

6-phospho-D-gluconic acid is a gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway. It has a role as a fundamental metabolite. It is a conjugate acid of a 6-phosphonatooxy-D-gluconate and a 6-phospho-D-gluconate.

6-Phosphogluconic acid Basic Attributes

Molecular Weight：

276.135

Exact Mass：

276.14

EC Number：

213-069-9

UNII：

W31WK7B8U0

DSSTox ID：

DTXSID00872623

Characteristics

PSA：

406.56000

XLogP3：

-3.25

Appearance：

Solid

Density：

2.0±0.1 g/cm3

Boiling Point：

774.8±70.0 °C at 760 mmHg

Flash Point：

422.4±35.7 °C

Refractive Index：

1.623

Collision Cross Section：

157.3 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|167.16 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|145.75 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|145.88 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|159 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine]|157.6 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|143.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.9 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|145.2 Å² [M-H]-

Safety Information

Packing level：

III

Transport codes：

UN 1564 6.1/PG 3

wgk germany：

hazard class code：

R20/22

safety instructions：

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P301 + P312 + P330-P304 + P340 + P312

Hazard Statements：

H302 + H332

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-phospho-D-gluconic acid

Computed Properties

Molecular Weight:276.14
XLogP3:-4.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:276.02463360
Monoisotopic Mass:276.02463360
Topological Polar Surface Area:185
Heavy Atom Count:17
Complexity:299
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 921-62-0

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Guide of 6-Phosphogluconic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
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6-Phosphogluconic acid

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