Basic information
- CAS
89873-36-9- Standard SMILES
NCc1cc(COc2ccc(CCNC(=O)CCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)C(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc2)co1- InChIKey
CKRUWFDORAQSRC-UHFFFAOYSA-N- Molecular formula
- C34H44N4O15
- Average molar mass
- 748.7 g/mol
- Monoisotopic mass
- 748.28031671
Names & identifiers
- Preferred name
- 7-[[4-[[4-[2-[4-[[5-(Aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid
- IUPAC
- 7-[[4-[[4-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid
- English name
- carbon dioxide reduction factor
- Molecular formula
- C34H44N4O15
- Molecular weight
- 748.74
Names & synonyms
methanofuran7-[[4-[[4-[2-[4-[[5-(Aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acidorb1697959DTXSID201046817AKOS040751029T30743L-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-Cdr factorcarbon dioxide reduction factorL-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-γ-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-
Database identifiers
- CAS
89873-36-9- PubChem CID
- 879
- DTXSID
DTXSID201046817- Nikkaji
- J3.671.189B
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 322 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 26
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,270
Physicochemical properties
- Boiling point
- 1126.5 · 1126.5±65.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.10(Predicted)
Chemistry & industry
Applications
DescriptionCarbon dioxide reduction factor is a coenzyme of methanogenesis from carbon dioxide; can exist in amine & formamide form.
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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