(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid

C9H10N2O7P2 — CID 90309958

IUPAC(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid
SMILESO=P(O)(O)C(O)(c1cnc2ccccc2n1)P(=O)(O)O
InChIInChI=1S/C9H10N2O7P2/c12-9(19(13,14)15,20(16,17)18)8-5-10-6-3-1-2-4-7(6)11-8/h1-5,12H,(H2,13,14,15)(H2,16,17,18)
InChIKeyMJKBYFWKVVVGNQ-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.09
Rot. Bonds3

About (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid

(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid (PubChem CID 90309958) has the molecular formula C9H10N2O7P2 and a molecular weight of 320.13 g/mol. Its IUPAC name is (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid.

Molecular Properties

Compound Name(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid
PubChem CID90309958
Molecular FormulaC9H10N2O7P2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid
SMILESO=P(O)(O)C(O)(c1cnc2ccccc2n1)P(=O)(O)O
InChIInChI=1S/C9H10N2O7P2/c12-9(19(13,14)15,20(16,17)18)8-5-10-6-3-1-2-4-7(6)11-8/h1-5,12H,(H2,13,14,15)(H2,16,17,18)
InChIKeyMJKBYFWKVVVGNQ-UHFFFAOYSA-N
XLogP0.09
TPSA161.07 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.09
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 (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid?
The IUPAC name of (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid (CID 90309958) is (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid.
What is the SMILES notation for (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid?
The canonical SMILES for (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid is O=P(O)(O)C(O)(c1cnc2ccccc2n1)P(=O)(O)O.
What is the InChIKey of (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid?
The InChIKey is MJKBYFWKVVVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O7P2/c12-9(19(13,14)15,20(16,17)18)8-5-10-6-3-1-2-4-7(6)11-8/h1-5,12H,(H2,13,14,15)(H2,16,17,18).
What are the key properties of (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid?
(hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid has a molecular weight of 320.13 g/mol, XLogP of 0.09, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-phosphono-quinoxalin-2-ylmethyl)phosphonic acid is sourced from PubChem (CID 90309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).