(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid

C10H11NO6P2 — CID 54467399

IUPAC(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid
SMILESNc1cc(P(=O)(O)O)c2cccc(P(=O)(O)O)c2c1
InChIInChI=1S/C10H11NO6P2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyXFWSFNWDUBDCRE-UHFFFAOYSA-N
MW303.15 g/mol
LogP0.03
Rot. Bonds2

About (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid

(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid (PubChem CID 54467399) has the molecular formula C10H11NO6P2 and a molecular weight of 303.15 g/mol. Its IUPAC name is (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid
PubChem CID54467399
Molecular FormulaC10H11NO6P2
Molecular Weight303.15 g/mol
Exact Mass303.01
IUPAC Name(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid
SMILESNc1cc(P(=O)(O)O)c2cccc(P(=O)(O)O)c2c1
InChIInChI=1S/C10H11NO6P2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyXFWSFNWDUBDCRE-UHFFFAOYSA-N
XLogP0.03
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid?
The IUPAC name of (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid (CID 54467399) is (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid.
What is the SMILES notation for (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid?
The canonical SMILES for (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid is Nc1cc(P(=O)(O)O)c2cccc(P(=O)(O)O)c2c1.
What is the InChIKey of (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid?
The InChIKey is XFWSFNWDUBDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6P2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H2,12,13,14)(H2,15,16,17).
What are the key properties of (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid?
(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid has a molecular weight of 303.15 g/mol, XLogP of 0.03, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-phosphononaphthalen-1-yl)phosphonic acid is sourced from PubChem (CID 54467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).