N-Retinoylglycine
Basic information
- CAS
110848-62-9- Standard SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)NCC(=O)O)C(C)(C)CCC1- InChIKey
ZETCVMXUHPTVOW-XQSIOCNLSA-N- Molecular formula
- C22H31NO3
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.23039385
Overview
has less toxicity but similar immunological effects as retinoic acid; RN given refers to (Z,E,E,E)-isomer
Names & identifiers
- Preferred name
- N-Retinoylglycine
- IUPAC
- 2-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acid
- English name
- N-retinoylglycine
- Molecular formula
- C22H31NO3
- Molecular weight
- 357.49
Names & synonyms
N-Retinoylglycine110848-62-9RefChem:1641762-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acidN-trans-retinoyl-DL-glycineDTXSID301365309Glycine, N-(3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl)-, (Z,E,E,E)-Glycine, N-[(13-cis)-15-oxoretin-15-yl]- (9CI)
Database identifiers
- CAS
110848-62-9- PubChem CID
- 6439239
- DTXSID
DTXSID301365309- Nikkaji
- J3.068.988G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Boiling point
- 580.637 · 580.637±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.617 · 3.617±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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