134029-42-8
AlkaPlorer ID: AK043972
Synonym: None
IUPAC Name: (4S,5S,6S)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-5-hydroxy-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid
Structure
SMILES: C[C@@]1(COC(=O)C2=CC(Br)=CN2)NC=N[C@H](C(=O)O)[C@@H]1O
InChI: InChI=1S/C12H14BrN3O5/c1-12(9(17)8(10(18)19)15-5-16-12)4-21-11(20)7-2-6(13)3-14-7/h2-3,5,8-9,14,17H,4H2,1H3,(H,15,16)(H,18,19)/t8-,9-,12-/m0/s1
InChIKey: RMRGGLUETWXFCH-AUTRQRHGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ptilometra australis | Ptilometra | Ptilometridae | Comatulida | Crinoidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 360.1640000000001
TPSA？: 124.01000000000002
MolLogP？: 0.1382999999999997
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|