(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid

C5H15NO6P2 — CID 145307317

IUPAC(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid
SMILESNCCCCC(O)(P(O)O)P(=O)(O)O
InChIInChI=1S/C5H15NO6P2/c6-4-2-1-3-5(7,13(8)9)14(10,11)12/h7-9H,1-4,6H2,(H2,10,11,12)
InChIKeyNCNAVXYDAFVSPU-UHFFFAOYSA-N
MW247.12 g/mol
LogP-0.76
Rot. Bonds6

About (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid

(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid (PubChem CID 145307317) has the molecular formula C5H15NO6P2 and a molecular weight of 247.12 g/mol. Its IUPAC name is (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid.

Molecular Properties

Compound Name(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid
PubChem CID145307317
Molecular FormulaC5H15NO6P2
Molecular Weight247.12 g/mol
Exact Mass247.04
IUPAC Name(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid
SMILESNCCCCC(O)(P(O)O)P(=O)(O)O
InChIInChI=1S/C5H15NO6P2/c6-4-2-1-3-5(7,13(8)9)14(10,11)12/h7-9H,1-4,6H2,(H2,10,11,12)
InChIKeyNCNAVXYDAFVSPU-UHFFFAOYSA-N
XLogP-0.76
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.12
LogP ≤ 5-0.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid?
The IUPAC name of (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid (CID 145307317) is (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid.
What is the SMILES notation for (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid?
The canonical SMILES for (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid is NCCCCC(O)(P(O)O)P(=O)(O)O.
What is the InChIKey of (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid?
The InChIKey is NCNAVXYDAFVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO6P2/c6-4-2-1-3-5(7,13(8)9)14(10,11)12/h7-9H,1-4,6H2,(H2,10,11,12).
What are the key properties of (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid?
(5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid has a molecular weight of 247.12 g/mol, XLogP of -0.76, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-dihydroxyphosphanyl-1-hydroxypentyl)phosphonic acid is sourced from PubChem (CID 145307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).