Basic information
- CAS
19730-75-7- Standard SMILES
Cc1ncc(CCP(=O)(O)O)c(C=O)c1O- InChIKey
LTUHULTYAHVJIP-UHFFFAOYSA-N- Molecular formula
- C9H12NO5P
- Average molar mass
- 245.17 g/mol
- Monoisotopic mass
- 245.04530948
Overview
structure in first source
Names & identifiers
- Preferred name
- 5'-Deoxypyridoxal 5'-methylenephosphonic acid
- IUPAC
- 2-(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)ethylphosphonic acid
- English name
- 5'-deoxypyridoxal 5'-methylenephosphonic acid
- Molecular formula
- C9H12NO5P
- Molecular weight
- 245.17
Names & synonyms
Plp 5'-mpa19730-75-7Plp 5'-methylenephosphonic acid5-CH2PLP5'-Deoxypyridoxal 5'-methylenephosphonic acidDTXSID70173412RefChem:100798DTXCID1095903[2-(4-Formyl-5-Hydroxy-6-Methylpyridin-3-Yl)ethyl]phosphonic AcidCHEMBL3427368(2-(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)ethyl)phosphonic acidPhosphonic acid, (2-(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)ethyl)-
Show more names
Phosphonic acid, [2-(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)ethyl]- (9CI)
2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethylphosphonic acidBDBM50084936Q27452855
Database identifiers
- CAS
19730-75-7- PubChem CID
- 3082151
- DTXSID
DTXSID70173412- ChEMBL
CHEMBL3427368- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 573.3 · 573.3±60.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 1.89 · 1.89±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海芮珊医药科技有限公司02150565560; 17321237488 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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