19-oxo-18,20-dioxa-3,10-diaza-19-vanadatetracyclo[19.4.0.04,9.012,17]pentacosa-1(21),2,4(9),5,7,10,12(17),13,15,22,24-undecaene

• ChemBase ID: 157316
• Molecular Formular: C20H14N2O3V
• Molecular Mass: 381.27826
• Monoisotopic Mass: 381.04440182
• SMILES: c1cc2c(cc1)O[V](=O)Oc1c(cccc1)/C=N\c1c(cccc1)/N=C\2
• Canonical SMILES: O=[V]1Oc2ccccc2/C=N\c2c(/N=C\c3c(O1)cccc3)cccc2
• InChI: InChI=1S/C20H16N2O2.O.V/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;/h1-14,23-24H;;/q;;+2/p-2
• InChIKey: GZMVPBRTLSLWAO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 19-oxo-18,20-dioxa-3,10-diaza-19-vanadatetracyclo[19.4.0.0^4,^9.0^1^2,^1^7]pentacosa-1(21),2,4(9),5,7,10,12(17),13,15,22,24-undecaene
• IUPAC Traditional name: 19-oxo-18,20-dioxa-3,10-diaza-19-vanadatetracyclo[19.4.0.0^4,^9.0^1^2,^1^7]pentacosa-1(21),2,4(9),5,7,10,12(17),13,15,22,24-undecaene
• Synonyms: N,N′-Bis(salicylidene)-o-phenylenediamine Vanadium(IV) oxide Complex; N,N′-双(亚水杨基)-邻苯二胺氧化钒(IV) 络合物

Database IDs

• CAS Number: 32065-17-1
• MDL Number: MFCD06798202
• PubChem SID: 162251453
• PubChem CID: 45052247

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3857965
• LogD (pH = 7.4): 4.3858
• Log P: 4.3858
• Molar Refractivity: 99.6931 cm^3
• Polarizability: 38.584 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC)
• Grade: purum
• Empirical Formula (Hill Notation): C20H14N2O3V

DETAILS

Sigma Aldrich - 68541

General description
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Other Notes
Used in the direct determination of hydrogen phosphate and in a indicator electrode for the determination of hydrogen phosphate with Ba(NO3)2 1