Basic information
- CAS
53411-70-4- Standard SMILES
O=C(O)C(O)C(O)C(O)C(O)COP(=O)(O)O- InChIKey
BIRSGZKFKXLSJQ-UHFFFAOYSA-N- Molecular formula
- C6H13O10P
- Average molar mass
- 276.14 g/mol
- Monoisotopic mass
- 276.0246336
Overview
BIRSGZKFKXLSJQ-UHFFFAOYSA-N has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- d-gluconic acid, 6-(dihydrogen phosphate), trisodium salt
- IUPAC
- 2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid
- English name
- 6-Phosphogluconic acid trisodium salt
- Molecular formula
- C6H14NaO10P
- Molecular weight
- 300.13
Names & synonyms
EINECS 258-543-6NSC 316735d-Gluconic acid, 6-(dihydrogen phosphate), trisodium salt2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acidRefChem:130581258-543-653411-70-46-phosphogluconic acid barium saltSCHEMBL20316596-Phosphonatooxy-D-gluconic acidBIRSGZKFKXLSJQ-UHFFFAOYSA-NNSC316735
Show more names
6-PHOSPHOGLUCONIC ACID6-PHOSPHOGLUCONIC ACID TRISODIUMG-6-P-Na3O6-phosphono-D-gluconic acidPhosphogluconic acid-Na3-saltGLUCONATE-6-PHOSPHATE NA3-SALTRobison ester trisodium salt6-PhosphogluconateTrisodiumSaltTrisodium 6-phospho-D-gluconate
AKOS024386331MSK2693-1000WNSC-316735NS00042083ST510374166-Phosphogluconic acid trisodium salt dihydrate41C3F49C-9644-4D59-8DD3-521E6677AAE42,3,4,5-tetrahydroxy-6-(oxyphosphinyloxyphosphinyl)hexanoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, colorless
- form
- crystalline powder
- color
- White
- biological source
- synthetic (organic)
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear, colorless
- BRN
- 3814212 · 3814212
- Major Application
- agriculture
- InChI
- InChI=1/C6H13O10P.Na.H/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15);;/t2-,3-,4+,5-;;/s3
- InChIKey
- RQLRHYKUSCRDQH-QZHCVFHNNA-N
- SMILES
- [C@@H](O)([C@H](O)COP(O)(O)=O)[C@H](O)[C@@H](O)C(=O)O.[NaH] |&1:0,2,10,12,r|
- CAS DataBase Reference
- 53411 · 53411-70-4(CAS DataBase Reference)
- FDA UNII
- 31 WK7B8U0 · W31WK7B8U0
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 25 · NA.25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2919900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
Uses6-Phosphogluconic acid trisodium salt has been used in a study to assess a spectrophotometric method for the determination of creative phosphokinase and myokinase.It has also been used in a study to investigate the reversible enzymatic sythesis of diphosphopyridine nucleotide and inorganic pyrophosphate.
Uses6-Phosphogluconic acid has been used in a study to assess a spectrophotometric method for the determination of creative phosphokinase and myokinase. It has also been used in a study to investigate the reversible enzymatic sythesis of diphosphopyridine nucleotide and inorganic pyrophosphate.
Suppliers69 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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