Basic information
- CAS
528-16-5- Standard SMILES
O=C(O)C1OC(O)C(O)C(O)C1O- InChIKey
AEMOLEFTQBMNLQ-UHFFFAOYSA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265265
Overview
3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is a carbohydrate acid derivative.
Names & identifiers
- Preferred name
- Hexuronic Acid
- IUPAC
- 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- English name
- D-glucopyranuronic acid
- Molecular formula
- C6H10O7
- Molecular weight
- 194.14
Names & synonyms
Hexopyranuronic acidHexuronic acidhexuronateRefChem:53264CHEBI:24592DTXCID801364401DTXSID90935776HexaHexa (SNFG)SNFG:Hexa3,4,5,6-tetrahydroxyoxane-2-carboxylic acid912483-14-8
Show more names
(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid-Carbamate βEinecs 208-429-7Carvedilol N’Carvedilol-d3 N’D-glucopyranuronic acid3β,4α,5β,6α-Tetrahydroxytetrahydro-2H-pyran-2α-carboxylic acid(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid
NSC9248.alpha.-D-Galactopyranuronic acidD-(+)Glucuronic acidGlucopyranuronic acid, D-GLUCURONIC ACID (D)3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acidGalactopyranuronic acid, .alpha.-D-3,4,5,6-tetrahydroxy-2H-3,4,5,6-tetrahydropyran-2-carboxylic acid
Database identifiers
- CAS
528-16-5、6294-16-2- PubChem CID
- 610
- ChEBI
CHEBI:229940
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Collision Cross Section142.34 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 267 · 267-269 °C (decomp)
- Boiling point
- 495.2 · 495.2±45.0 °C(Predicted)
- Density
- 1.987 · 1.987±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- HS Code
- 2940000080 · 2940000080
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2940000080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers14 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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