Basic information
- CAS
20708-36-5- Standard SMILES
O=P(O)(O)C(NCCNC(c1ccccc1O)P(=O)(O)O)c1ccccc1O- InChIKey
CDUZXGZLRQGNKP-UHFFFAOYSA-N- Molecular formula
- C16H22N2O8P2
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 432.08513966
Names & identifiers
- Preferred name
- (Ethane-1,2-diylbis(imino((2-hydroxyphenyl)methylene)))bisphosphonic acid
- IUPAC
- [(2-hydroxyphenyl)-[2-[[(2-hydroxyphenyl)-phosphonomethyl]amino]ethylamino]methyl]phosphonic acid
- English name
- [ethane-1,2-diylbis[imino[(2-hydroxyphenyl)methylene]]]bisphosphonic acid
- Molecular formula
- C16H22N2O8P2
- Molecular weight
- 432.3
Names & synonyms
20708-36-5(Ethane-1,2-diylbis(imino((2-hydroxyphenyl)methylene)))bisphosphonic acidEINECS 243-981-2[(2-hydroxyphenyl)-[2-[[(2-hydroxyphenyl)-phosphonomethyl]amino]ethylamino]methyl]phosphonic acidSCHEMBL15452865DTXSID80942914CDUZXGZLRQGNKP-UHFFFAOYSA-NNS000502202,5-Diazahexane-1,6-diphosphonic acid, 1,6-bis(2-hydroxyphenyl)-(1,2-ethanediylbis(imino((2-hydroxyphenyl)methylene))) bisphosphonic acid(Ethane-1,2-diylbis{azanediyl[(2-hydroxyphenyl)methylene]})bis(phosphonic acid)1,2-Ethanediylbis[imino[(2-hydroxyphenyl)methylene]]bisphosphonic acid
Show more names
[ethane-1,2-diylbis[imino[(2-hydroxyphenyl)methylene]]]bisphosphonic acidPhosphonic acid, P,P'-[1,2-ethanediylbis[imino[(2-hydroxyphenyl)methylene]]]bis-
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
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Compound notes
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