Methaniline
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Basic information
- CAS
89173-83-1- Standard SMILES
Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1- InChIKey
BWOZPVQDVPGEIQ-GQIOFJESSA-N- Molecular formula
- C21H32NO15P
- Average molar mass
- 569.4 g/mol
- Monoisotopic mass
- 569.15095631
Overview
RN from CA Index Guide
Names & identifiers
- Preferred name
- Methaniline
- IUPAC
- (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-(4-aminophenyl)-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
- English name
- methaniline
- Molecular formula
- C21H32NO15P
- Molecular weight
- 569.450241
Names & synonyms
Methaniline4-(5'-O-(5''-Phosphono-alpha-ribofuranosyl)-2',3',4',5'-tetrahydroxypent-1'-yl)aniline alpha-hydroxyglutaric acid ester89173-83-1RefChem:156952D-Ribitol, 1-(4-aminophenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-, (S)-SCHEMBL29903056
Database identifiers
- CAS
89173-83-1- PubChem CID
- 129011828
Properties
Computed structural propertiesFilling in
- XLogP
- -3.6
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 809
Chemistry & industry
Applications
DescriptionMethaniline is an oxidative cleavage product of methanopterin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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