Pulcherosine
Basic information
- CAS
126723-16-8- Standard SMILES
N[C@@H](Cc1ccc(Oc2cc(C[C@H](N)C(=O)O)cc(-c3cc(C[C@H](N)C(=O)O)ccc3O)c2O)cc1)C(=O)O- InChIKey
YLKSMWKXSSBSNR-ACRUOGEOSA-N- Molecular formula
- C27H29N3O9
- Average molar mass
- 539.5 g/mol
- Monoisotopic mass
- 539.19037951
Overview
Pulcherosine has been reported in Heliocidaris crassispina, Glyptocidaris crenularis, and other organisms with data available.
Names & identifiers
- Preferred name
- Pulcherosine
- IUPAC
- (2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
- English name
- pulcherosine
- Molecular formula
- C27H29N3O9
- Molecular weight
- 539.54
Names & synonyms
PulcherosineDXC2N2YQ56RefChem:203942(1,1'-Biphenyl)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5-(4-(2-amino-2-carboxyethyl)phenoxy)-6,6'-dihydroxy-, (3(S)-(3(R*),3'(R*),5(R*)))-2-amino-3-(4-(5-(2-amino-2-carboxyethyl)-3-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-2-hydroxyphenoxy)phenyl)propanoic acid5-(4''-(2-Carboxy-2-aminoethyl)phenoxy)-3,3'-dityrosine126723-16-8(2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acidorb2814752DTXSID501103755HY-169805T202961
Show more names
[1,1'-Biphenyl]-3,3'-dipropanoic acid, α3,α3'-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6'-dihydroxy-, (α3S,α3'S)-
[1,1'-Biphenyl]-3,3'-dipropanoic acid, alpha,alpha'-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6'-dihydroxy-, (alphaS,alpha'S)-[1,1'-Biphenyl]-3,3'-dipropanoic acid, alpha3,alpha3'-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6'-dihydroxy-, (alpha3S,alpha3'S)-[1,1a(2)-Biphenyl]-3,3a(2)-dipropanoic acid, I+/-3,I+/-3a(2)-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6a(2)-dihydroxy-, (I+/-3S,I+/-3a(2)S)-
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 837
Physicochemical properties
- Melting point
- 170 · 170-172 °C
- Boiling point
- 778.3 · 778.3±60.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.10(Predicted)
Chemistry & industry
Applications
UsesPulcherosine is an intermediate in the conversion of isodityrosine to tetrameric diisodityrosine.
Additional notes
DefinitionChEBI: Pulcherosine is a tyrosine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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