Molecule

[5-(aminomethyl)-3-furyl]methyl phosphate

AlkaPlorer ID: AK109775

Synonym: None

IUPAC Name: [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate

SMILES: NCC1=CC(COP(=O)(O)O)=CO1

InChI: InChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)

InChIKey: UAFNGMRXHNAKEN-UHFFFAOYSA-N

PubChem CID: 25244004

NPASS: NPC328225

COCONUT: CNP0082478

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Methanocaldococcus jannaschii	Methanocaldococcus	Methanocaldococcaceae	Methanococcales	Methanococci	Euryarchaeota	None	Archaea

Molecule Weight: 207.122

TPSA？: 105.92

MolLogP？: 0.3476

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT018422	NCCc1ccc(OCc2coc(CN)c2)cc1>>NCc1cc(COP(=O)(O)O)co1	MNXR177084
AKRT018535	NCc1cc(COP(=O)(O)O)co1>>NCc1cc(COP(=O)(O)OP(=O)(O)O)co1	RXN-15944
AKRT023755	O=Cc1cc(COP(=O)(O)O)co1>>NCc1cc(COP(=O)(O)O)co1	RXN-8119