a 7,8-Dihydrobiopterin
Basic information
- CAS
7644-44-2- Standard SMILES
CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1- InChIKey
FEMXZDUTFRTWPE-UHFFFAOYSA-N- Molecular formula
- C9H13N5O3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.10183929
Overview
7,8-dihydrobiopterin is a dihydropterin that is biopterin dihydrogenated at positions 7 and 8. It is a member of biopterins and a dihydropterin.
Names & identifiers
- Preferred name
- a 7,8-Dihydrobiopterin
- IUPAC
- 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
Names & synonyms
a 7,8-dihydrobiopterinRefChem:5510246779-87-97,8-dihydro biopterin2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydropteridin-4(1H)-one2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one7,8-Dihydro-biopterin7,8-di-H-biopterinP-quinonoid-dihydrobiopterinSCHEMBL12559341SCHEMBL19345662SCHEMBL21009255
Show more names
quinonoid dihydro-(6H)-biopterinDTXSID001355854FD04487DB-055064Q52764212-Amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(3H)-pteridinonea 2-amino-4-hydroxy-6-(1,2-dihydroxypropyl)-7,8-dihydropteridine
Database identifiers
- CAS
7644-44-2- PubChem CID
- 135402011
- DTXSID
DTXSID001355854- ChEBI
CHEBI:64277- Nikkaji
- J652.540G
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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