Basic information
- CAS
13149-69-4- Standard SMILES
CC(C)N(C(C)C)C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)N(C(C)C)C(C)C- InChIKey
RVSTWRHIGKXTLG-WCXIOVBPSA-N- Molecular formula
- C20H40N2O8
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.27846624
Overview
Pangamic acid is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- D-Gluconic acid, 6-(2,2-bis(bis(1-methylethyl)amino)acetate)
- IUPAC
- (2R,3S,4R,5R)-6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
- English name
- 6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid
- Molecular formula
- C20H40N2O8
- Molecular weight
- 436.54
Names & synonyms
13149-69-46-(Bis(bis(isopropyl)amino)acetate)-D-gluconic acidDTXSID8010198166-[bis[bis(isopropyl)amino]acetate]-D-gluconic acidRefChem:1082883DTXCID001477701D-Gluconic acid, 6-(2,2-bis(bis(1-methylethyl)amino)acetate)236-088-4Dimethyl-amino-acetylgluconic acid(2R,3S,4R,5R)-6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acidKyselina pangamovaKyselina pangamova [Czech]
Show more names
PANGAMIC ACID (VITAMIN B15)6-O-[2,2-Bis(diisopropylamino)acetyl]-D-gluconic acidD-Gluconic acid, 6-[2,2-bis[bis(1-methylethyl)amino]acetate]
(2R,3S,4R,5R)-6-(2,2-Bis(diisopropylamino)acetoxy)-2,3,4,5-tetrahydroxyhexanoic acidEINECS 236-088-4D-Gluconic acid, 6-(bis(1-methylethyl)amino)acetate)(2R,3S,4R,5R)-6-({2,2-bis[bis(propan-2-yl)amino]acetyl}oxy)-2,3,4,5-tetrahydroxyhexanoic acidCHEBI:172677RVSTWRHIGKXTLG-WCXIOVBPSA-N6-O-{Bis[di(propan-2-yl)amino]acetyl}-D-gluconic acid
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Additional notes
DefinitionChEBI: Pangamic acid is an alpha-amino acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…