Basic information
- CAS
18928-00-2- Standard SMILES
CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(C)=O)NC1=O- InChIKey
PUWVNTVQJFSBDH-UHFFFAOYSA-N- Molecular formula
- C14H24N4O6
- Average molar mass
- 344.36 g/mol
- Monoisotopic mass
- 344.1695845
Overview
See also: Rhodotorulic acid (annotation moved to).
Names & identifiers
- Preferred name
- N-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamide
- IUPAC
- N-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamide
- English name
- Rhodotorulic acid
- Molecular formula
- C14H24N4O6
- Molecular weight
- 344.36
Names & synonyms
N-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamideRhodotulic acid(2S-cis)-N,N'-((3,6-Dioxopiperazine-2,5-diyl)di-3,1-propanediyl)bis(N-hydroxyacetamide)chromic rhodotorulic acidSCHEMBL472938CHEMBL322490PUWVNTVQJFSBDH-UHFFFAOYSA-NDB-044703NS00052751Q7321233Acetamide,N'-[(3,6-dioxo-2,5-piperazinediyl)di-3,1-propanediyl]bis[N-hydroxy-, (2S-cis)-Acetohydroxamic acid,N'-[(3,6-dioxo-2,5-piperazinediyl)bis(trimethylene)]di-, L-
Show more names
Nsc143096(2s-cis)-yacetamide)rhodotorulicaciRhodotorulic acidPirliMycin-d12 (Major) Hydrochlorideacetohydroxamicacid,n,n’-((3,6-dioxo-2,5-piperazinediyl)bis(trimethylene)di(2s-cis)-n,n’-((3,6-dioxo-2,5-piperazinediyl)di-3,1-propanediyl)bis(n-hydroxacetamide,n,n’-((3,6-dioxo-2,5-piperazinediyl)di-3,1-propanediyl)bis(n-hydroxyacetamide,n,n’-[(3,6-dioxo-2,5-piperazinediyl)di-3,1-propanediyl]bis[n-hydroxy
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.09 · 9.09±0.50(Predicted)
- FDA UNII
- 61 F3VBQ4G5 · 61F3VBQ4G5
- EPA Substance Registry System
- 2 S,5S)-3,6-dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N-hydroxy- · Acetamide, N,N'-[[(2S,5S)-3,6-dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N-hydroxy- (18928-00-2)
- RTECS
- 8132530 · AB8132530
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- rtecs
- AB8132530
Chemistry & industry
Suppliers10 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of 2,5-diketopiperazines obtained by cyclodimerisation of N5-acetyl-N5-hydroxy-L-ornithine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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