(5-hydroxy-5,5-diphosphonopentyl)azanium

C5H16NO7P2+ — CID 5276558

IUPAC(5-hydroxy-5,5-diphosphonopentyl)azanium
SMILES[NH3+]CCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H15NO7P2/c6-4-2-1-3-5(7,14(8,9)10)15(11,12)13/h7H,1-4,6H2,(H2,8,9,10)(H2,11,12,13)/p+1
InChIKeyDXGBLRMRXHGUFX-UHFFFAOYSA-O
MW264.13 g/mol
LogP-1.60
Rot. Bonds6

About (5-hydroxy-5,5-diphosphonopentyl)azanium

(5-hydroxy-5,5-diphosphonopentyl)azanium (PubChem CID 5276558) has the molecular formula C5H16NO7P2+ and a molecular weight of 264.13 g/mol. Its IUPAC name is (5-hydroxy-5,5-diphosphonopentyl)azanium.

Molecular Properties

Compound Name(5-hydroxy-5,5-diphosphonopentyl)azanium
PubChem CID5276558
Molecular FormulaC5H16NO7P2+
Molecular Weight264.13 g/mol
Exact Mass264.04
IUPAC Name(5-hydroxy-5,5-diphosphonopentyl)azanium
SMILES[NH3+]CCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H15NO7P2/c6-4-2-1-3-5(7,14(8,9)10)15(11,12)13/h7H,1-4,6H2,(H2,8,9,10)(H2,11,12,13)/p+1
InChIKeyDXGBLRMRXHGUFX-UHFFFAOYSA-O
XLogP-1.60
TPSA162.93 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.13
LogP ≤ 5-1.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Alendronic Acid
CID 2088
Neridronate
CID 71237
(5-amino-1-hydroxy-1-phosphono-pentyl)phosphonic Acid
CID 405368
(4-Azaniumyl-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
CID 44400013
Alendronate(1-)
CID 17684448
Neridronate sodium
CID 23669954
4-Amino-1-hydroxybutane-1,1-diyldiphosphonate
CID 5459353
Phosphonic acid, (6-amino-1-hydroxyhexylidene)bis-, conjugate acid
CID 5276544
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, conjugate acid
CID 5276556
[4-Azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]butyl]-hydroxyphosphinate
CID 10131134
Alendronate trihydrate
CID 17952672
(7-Amino-1-hydroxy-1-phosphonoheptyl)phosphonic acid
CID 16078991

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-5,5-diphosphonopentyl)azanium?
The IUPAC name of (5-hydroxy-5,5-diphosphonopentyl)azanium (CID 5276558) is (5-hydroxy-5,5-diphosphonopentyl)azanium.
What is the SMILES notation for (5-hydroxy-5,5-diphosphonopentyl)azanium?
The canonical SMILES for (5-hydroxy-5,5-diphosphonopentyl)azanium is [NH3+]CCCCC(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (5-hydroxy-5,5-diphosphonopentyl)azanium?
The InChIKey is DXGBLRMRXHGUFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H15NO7P2/c6-4-2-1-3-5(7,14(8,9)10)15(11,12)13/h7H,1-4,6H2,(H2,8,9,10)(H2,11,12,13)/p+1.
What are the key properties of (5-hydroxy-5,5-diphosphonopentyl)azanium?
(5-hydroxy-5,5-diphosphonopentyl)azanium has a molecular weight of 264.13 g/mol, XLogP of -1.60, 6 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-5,5-diphosphonopentyl)azanium is sourced from PubChem (CID 5276558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).