(diphosphonooxyamino) dihydrogen phosphate

H6NO12P3 — CID 18405806

IUPAC(diphosphonooxyamino) dihydrogen phosphate
SMILESO=P(O)(O)ON(OP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/H6NO12P3/c2-14(3,4)11-1(12-15(5,6)7)13-16(8,9)10/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)
InChIKeyKVGUDMAAZPXOBX-UHFFFAOYSA-N
MW304.97 g/mol
LogP-1.64
Rot. Bonds6

About (diphosphonooxyamino) dihydrogen phosphate

(diphosphonooxyamino) dihydrogen phosphate (PubChem CID 18405806) has the molecular formula H6NO12P3 and a molecular weight of 304.97 g/mol. Its IUPAC name is (diphosphonooxyamino) dihydrogen phosphate.

Molecular Properties

Compound Name(diphosphonooxyamino) dihydrogen phosphate
PubChem CID18405806
Molecular FormulaH6NO12P3
Molecular Weight304.97 g/mol
Exact Mass304.91
IUPAC Name(diphosphonooxyamino) dihydrogen phosphate
SMILESO=P(O)(O)ON(OP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/H6NO12P3/c2-14(3,4)11-1(12-15(5,6)7)13-16(8,9)10/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)
InChIKeyKVGUDMAAZPXOBX-UHFFFAOYSA-N
XLogP-1.64
TPSA203.52 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.97
LogP ≤ 5-1.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (diphosphonooxyamino) dihydrogen phosphate?
The IUPAC name of (diphosphonooxyamino) dihydrogen phosphate (CID 18405806) is (diphosphonooxyamino) dihydrogen phosphate.
What is the SMILES notation for (diphosphonooxyamino) dihydrogen phosphate?
The canonical SMILES for (diphosphonooxyamino) dihydrogen phosphate is O=P(O)(O)ON(OP(=O)(O)O)OP(=O)(O)O.
What is the InChIKey of (diphosphonooxyamino) dihydrogen phosphate?
The InChIKey is KVGUDMAAZPXOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/H6NO12P3/c2-14(3,4)11-1(12-15(5,6)7)13-16(8,9)10/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10).
What are the key properties of (diphosphonooxyamino) dihydrogen phosphate?
(diphosphonooxyamino) dihydrogen phosphate has a molecular weight of 304.97 g/mol, XLogP of -1.64, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (diphosphonooxyamino) dihydrogen phosphate is sourced from PubChem (CID 18405806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).