(5-phosphonoazonan-5-yl)phosphonic acid

C8H19NO6P2 — CID 139663575

IUPAC(5-phosphonoazonan-5-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCCCNCCC1
InChIInChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)4-1-2-6-9-7-3-5-8/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15)
InChIKeySVAULKZDPIAPMN-UHFFFAOYSA-N
MW287.19 g/mol
LogP0.59
Rot. Bonds2

About (5-phosphonoazonan-5-yl)phosphonic acid

(5-phosphonoazonan-5-yl)phosphonic acid (PubChem CID 139663575) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (5-phosphonoazonan-5-yl)phosphonic acid.

Molecular Properties

Compound Name(5-phosphonoazonan-5-yl)phosphonic acid
PubChem CID139663575
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name(5-phosphonoazonan-5-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCCCNCCC1
InChIInChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)4-1-2-6-9-7-3-5-8/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15)
InChIKeySVAULKZDPIAPMN-UHFFFAOYSA-N
XLogP0.59
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 50.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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aminophosphonic acid;piperazine
CID 175475544
7-azaspiro[2.7]decane
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(1-aminocyclopentyl)phosphonic acid
CID 2733968
azepane-4,4-diol
CID 153445215
1,8,15,22-tetrazacyclooctacosane
CID 15722579
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
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azepane;piperidine
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Frequently Asked Questions

What is the IUPAC name of (5-phosphonoazonan-5-yl)phosphonic acid?
The IUPAC name of (5-phosphonoazonan-5-yl)phosphonic acid (CID 139663575) is (5-phosphonoazonan-5-yl)phosphonic acid.
What is the SMILES notation for (5-phosphonoazonan-5-yl)phosphonic acid?
The canonical SMILES for (5-phosphonoazonan-5-yl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)CCCCNCCC1.
What is the InChIKey of (5-phosphonoazonan-5-yl)phosphonic acid?
The InChIKey is SVAULKZDPIAPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)4-1-2-6-9-7-3-5-8/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of (5-phosphonoazonan-5-yl)phosphonic acid?
(5-phosphonoazonan-5-yl)phosphonic acid has a molecular weight of 287.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phosphonoazonan-5-yl)phosphonic acid is sourced from PubChem (CID 139663575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).