[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid

C5H15NO7P2 — CID 16754666

IUPAC[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid
SMILESCOP(=O)(O)C(O)(CCCN)P(=O)(O)O
InChIInChI=1S/C5H15NO7P2/c1-13-15(11,12)5(7,3-2-4-6)14(8,9)10/h7H,2-4,6H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLVINKDOZGSXDKX-UHFFFAOYSA-N
MW263.12 g/mol
LogP-0.62
Rot. Bonds6

About [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid

[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid (PubChem CID 16754666) has the molecular formula C5H15NO7P2 and a molecular weight of 263.12 g/mol. Its IUPAC name is [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid.

Molecular Properties

Compound Name[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid
PubChem CID16754666
Molecular FormulaC5H15NO7P2
Molecular Weight263.12 g/mol
Exact Mass263.03
IUPAC Name[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid
SMILESCOP(=O)(O)C(O)(CCCN)P(=O)(O)O
InChIInChI=1S/C5H15NO7P2/c1-13-15(11,12)5(7,3-2-4-6)14(8,9)10/h7H,2-4,6H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLVINKDOZGSXDKX-UHFFFAOYSA-N
XLogP-0.62
TPSA150.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid?
The IUPAC name of [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid (CID 16754666) is [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid.
What is the SMILES notation for [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid?
The canonical SMILES for [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid is COP(=O)(O)C(O)(CCCN)P(=O)(O)O.
What is the InChIKey of [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid?
The InChIKey is LVINKDOZGSXDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO7P2/c1-13-15(11,12)5(7,3-2-4-6)14(8,9)10/h7H,2-4,6H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid?
[4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid has a molecular weight of 263.12 g/mol, XLogP of -0.62, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]butyl]phosphonic acid is sourced from PubChem (CID 16754666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).