[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate

C7H11NO6P2 — CID 87475279

IUPAC[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(O)(O)=NCc1ccccc1
InChIInChI=1S/C7H11NO6P2/c9-15(10,14-16(11,12)13)8-6-7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H2,11,12,13)
InChIKeyPELZMOZBCKCJPH-UHFFFAOYSA-N
MW267.11 g/mol
LogP1.23
Rot. Bonds4

About [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate

[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate (PubChem CID 87475279) has the molecular formula C7H11NO6P2 and a molecular weight of 267.11 g/mol. Its IUPAC name is [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate.

Molecular Properties

Compound Name[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
PubChem CID87475279
Molecular FormulaC7H11NO6P2
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(O)(O)=NCc1ccccc1
InChIInChI=1S/C7H11NO6P2/c9-15(10,14-16(11,12)13)8-6-7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H2,11,12,13)
InChIKeyPELZMOZBCKCJPH-UHFFFAOYSA-N
XLogP1.23
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate?
The IUPAC name of [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate (CID 87475279) is [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate.
What is the SMILES notation for [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate?
The canonical SMILES for [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate is O=P(O)(O)OP(O)(O)=NCc1ccccc1.
What is the InChIKey of [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate?
The InChIKey is PELZMOZBCKCJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6P2/c9-15(10,14-16(11,12)13)8-6-7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H2,11,12,13).
What are the key properties of [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate?
[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate has a molecular weight of 267.11 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate is sourced from PubChem (CID 87475279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).