Basic information
- CAS
34522-32-2- Standard SMILES
C[C@@H]([NH2+][C@@H](CCC[NH+]=C(N)N)C(=O)[O-])C(=O)[O-]- InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N- Molecular formula
- C9H18N4O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.13280507
Overview
D-octopine dizwitterion is a D-alpha-amino acid zwitterion that is D-octopine in which both carboxy groups are anionic and the secondary amino and guanidine imino functions are protonated. It is a conjugate acid of a D-octopine(1-). It is a tautomer of a D-octopine.
Names & identifiers
- Preferred name
- N2-(D-1-Carboxyethyl)-L-arginine
- IUPAC
- (2S)-2-[[(1R)-1-carboxylatoethyl]azaniumyl]-5-(diaminomethylideneazaniumyl)pentanoate
- English name
- (+)-OCTOPINE
- Molecular formula
- C9H18N4O4
- Molecular weight
- 246.26
Names & synonyms
N2-(D-1-Carboxyethyl)-L-arginineN2-[(1R)-1-carboxyethyl]-L-ArginineD-octopine dizwitterionN2-(1-carboxyethyl)-, (R)-L-arginineCHEBI:57520Arginine, N2-(1-carboxyethyl)-, L-arginine(2S)-5-{[amino(iminio)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoate(2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate(+)-Octopine(+)-OCTOPINED-(+)-OCTOPINE(+)-Octopine,98%
Show more names
N2-(1-CARBOXYETHYL)-L-ARGININEN2-[(R)-1-CARBOXYETHYL]-L-ARGININENα-[(R)-1-Carboxyethyl]-L-arginineN2-(1-Carboxyethyl)-L-arginine, N2-([R]-1-Carboxyethyl)-L-arginine
Database identifiers
- CAS
34522-32-2- PubChem CID
- 6992007
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 283 · 283-284 °C(lit.)
- Boiling point
- 389.26 °C · 389.26°C (rough estimate)
- Density
- 1.248 · 1.2480 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 2.14 · 2.14±0.10(Predicted)
- color
- White to Off-White
- optical activity
- 20.917 · +20.917 (H2O)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 24/25
Chemistry & industry
Applications
UsesA nitrogenous compound from octopus muscles. It is used for producing seasoning and food additive.
UsesA nitrogenous compound from octopus muscles. D-(+)-Octopine is used for producing seasoning and food additive.
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
合肥博美生物科技有限责任公司13739298932 13856598764 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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