(5-acetamido-1-phosphonopentyl)phosphonic acid

C7H17NO7P2 — CID 22737802

IUPAC(5-acetamido-1-phosphonopentyl)phosphonic acid
SMILESCC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H17NO7P2/c1-6(9)8-5-3-2-4-7(16(10,11)12)17(13,14)15/h7H,2-5H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKeyXCSQWESNIAQXRU-UHFFFAOYSA-N
MW289.16 g/mol
LogP-0.03
Rot. Bonds7

About (5-acetamido-1-phosphonopentyl)phosphonic acid

(5-acetamido-1-phosphonopentyl)phosphonic acid (PubChem CID 22737802) has the molecular formula C7H17NO7P2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (5-acetamido-1-phosphonopentyl)phosphonic acid.

Molecular Properties

Compound Name(5-acetamido-1-phosphonopentyl)phosphonic acid
PubChem CID22737802
Molecular FormulaC7H17NO7P2
Molecular Weight289.16 g/mol
Exact Mass289.05
IUPAC Name(5-acetamido-1-phosphonopentyl)phosphonic acid
SMILESCC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H17NO7P2/c1-6(9)8-5-3-2-4-7(16(10,11)12)17(13,14)15/h7H,2-5H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKeyXCSQWESNIAQXRU-UHFFFAOYSA-N
XLogP-0.03
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-1-phosphonopentyl)phosphonic acid?
The IUPAC name of (5-acetamido-1-phosphonopentyl)phosphonic acid (CID 22737802) is (5-acetamido-1-phosphonopentyl)phosphonic acid.
What is the SMILES notation for (5-acetamido-1-phosphonopentyl)phosphonic acid?
The canonical SMILES for (5-acetamido-1-phosphonopentyl)phosphonic acid is CC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (5-acetamido-1-phosphonopentyl)phosphonic acid?
The InChIKey is XCSQWESNIAQXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO7P2/c1-6(9)8-5-3-2-4-7(16(10,11)12)17(13,14)15/h7H,2-5H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15).
What are the key properties of (5-acetamido-1-phosphonopentyl)phosphonic acid?
(5-acetamido-1-phosphonopentyl)phosphonic acid has a molecular weight of 289.16 g/mol, XLogP of -0.03, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1-phosphonopentyl)phosphonic acid is sourced from PubChem (CID 22737802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).