Translations:Pantothenic acid/1/en: Difference between revisions

Pantothenic acid/1/en
Names
	Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
	Systematic IUPAC name 3-[(2R)-(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid
Identifiers
CAS Number	599-54-2 ; 79-83-4 (R) ;
3D model (JSmol)	Interactive image; (R): Interactive image; (S): Interactive image;
3DMet	B00193;
Beilstein Reference	1727062, 1727064 (R)
ChEBI	CHEBI:7916 ;
ChEMBL	ChEMBL1594 ;
ChemSpider	963 ; 6361 (R) ; 4677898 (S) ;
DrugBank	DB01783 ;
EC Number	209-965-4;
KEGG	D07413 ;
MeSH	Pantothenic+Acid
PubChem CID	988; 6613 (R); 5748353 (S);
RTECS number	RU4729000;
UNII	66Y94D1203 ; 19F5HK2737 (R) ;
	InChI InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) Key: GHOKWGTUZJEAQD-UHFFFAOYSA-N ;
	SMILES CC(C)(CO)C(C(=O)NCCC(=O)O)O; (R): CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O; (S): CC(C)(CO)[C@@H](C(=O)NCCC(=O)O)O;
Properties
Chemical formula	C9H17NO5
Molar mass	219.237 g·mol−1
Appearance	Yellow oil; Colorless crystals (Ca2+ salt)
Odor	Odorless
Density	1.266 g/cm3; 1.32 g/cm3 (Ca2+ salt)
Melting point	183.833 °C (362.899 °F; 456.983 K) ; 196–200 °C (385–392 °F; 469–473 K); decomposes (Ca2+ salt)
Solubility in water	Very soluble
Solubility	Very soluble in C6H6, ether
log P	−1.416
Acidity (pKa)	4.41
Basicity (pKb)	9.698
Chiral rotation ([α]D)	+37.5°; +24.3° (Ca2+ salt)
Hazards
NFPA 704 (fire diamond)	2 1 0
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	> 10 mg/g (Ca2+ salt)
Related compounds
Related alkanoic acids	Arginine; Hopantenic acid; 4-(γ-Glutamylamino)butanoic acid
Related compounds	Panthenol

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Latest revision as of 16:47, 20 February 2024

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Message definition (Pantothenic acid)

{{Short description|chemical compound}}
{{Pathnav|Dietary supplement|Vitamin|frame=1}}
{{Chembox
| Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 477003091
| ImageFile = (R)-Pantothenic acid Formula V.1.svg
| ImageSize =
| ImageName = Skeletal formula of (R)-pantothenic acid
| ImageFile1 = Pantothenic-acid-based-on-xtal-3D-bs-17.png
| ImageSize1 =
| ImageName1 = Pantothenic acid molecule
| PIN = 3-[(2''R'')-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
| SystematicName = 3-[(2''R'')-(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid
|Section1={{Chembox Identifiers
| CASNo = 599-54-2
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 79-83-4
| CASNo1_Comment = (''R'')
| CASNo1_Ref = {{cascite|correct|CAS}}
| PubChem = 988
| PubChem1 = 6613
| PubChem1_Comment = (''R'')
| PubChem2 = 5748353
| PubChem2_Comment = (''S'')
| ChemSpiderID = 963
| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID1 = 6361
| ChemSpiderID1_Comment = (''R'')
| ChemSpiderID1_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID2 = 4677898
| ChemSpiderID2_Comment = (''S'')
| ChemSpiderID2_Ref = {{chemspidercite|changed|chemspider}}
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 66Y94D1203
| UNII1 = 19F5HK2737
| UNII1_Ref = {{fdacite|correct|FDA}}
| UNII1_Comment = (''R'')
| EC_number = 209-965-4
| DrugBank = DB01783
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| KEGG = D07413
| KEGG_Ref = {{keggcite|correct|kegg}}
| MeSHName = Pantothenic+Acid
| ChEBI = 7916
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 1594
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| Beilstein = 1727062, 1727064 (''R'')
| 3DMet = B00193
| SMILES = CC(C)(CO)C(C(=O)NCCC(=O)O)O
| SMILES1 = CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
| SMILES1_Comment = (''R'')
| SMILES2 = CC(C)(CO)[C@@H](C(=O)NCCC(=O)O)O
| SMILES2_Comment = (''S'')
| StdInChI = 1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChIKey = GHOKWGTUZJEAQD-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| RTECS = RU4729000
}}
|Section2={{Chembox Properties
| C=9 | H=17 | N=1 | O=5
| Density = 1.266 g/cm3 1.32 g/cm3 (Ca2+ salt)
| Appearance = Yellow oil Colorless crystals (Ca2+ salt)
| Odor = Odorless
| MeltingPtC = 183.833
| MeltingPt_notes = {{convert|196-200|C|F K}} decomposes (Ca2+ salt)
| LogP = −1.416
| pKa = 4.41
| pKb = 9.698
| Solubility = Very soluble
| SolubleOther = Very soluble in [[benzene|C6H6]], [[diethyl ether|ether]]
| SpecRotation = +37.5° +24.3° (Ca2+ salt)
}}
|Section7={{Chembox Hazards
| NFPA-H = 2
| NFPA-F = 1
| NFPA-R = 0
| LD50 = > 10 mg/g (Ca2+ salt)
}}
|Section9={{Chembox Related
| OtherFunction_label = alkanoic acids
| OtherFunction = [[Arginine]] [[Hopantenic acid]] [[4-(γ-Glutamylamino)butanoic acid]]
| OtherCompounds = [[Panthenol]]
}}
}}

Dietary supplement > Vitamin > Pantothenic acid/1/en

Translations:Pantothenic acid/1/en: Difference between revisions

Latest revision as of 16:47, 20 February 2024

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