2,5,7,10,11,14-hexaoxa-1,6-didysprosabicyclo[4.4.4]tetradecane-3,4,8,9,12,13-hexone hydrate

• ChemBase ID: 137443
• Molecular Formular: C6H2Dy2O13
• Molecular Mass: 607.07228
• Monoisotopic Mass: 609.80788812
• SMILES: C1(=O)C(=O)O[Dy]2OC(=O)C(=O)O[Dy](O1)OC(=O)C(=O)O2.O
• Canonical SMILES: O=C1O[Dy]2OC(=O)C(=O)O[Dy](OC1=O)OC(=O)C(=O)O2.O
• InChI: InChI=1S/3C2H2O4.2Dy.H2O/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;1H2/q;;;2*+3;/p-6
• InChIKey: QSUALEGWIZCPCI-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,7,10,11,14-hexaoxa-1,6-didysprosabicyclo[4.4.4]tetradecane-3,4,8,9,12,13-hexone hydrate
• IUPAC Traditional name: 2,5,7,10,11,14-hexaoxa-1,6-didysprosabicyclo[4.4.4]tetradecane-3,4,8,9,12,13-hexone hydrate
• Synonyms: Dysprosium(III) oxalate hydrate; 草酸镝(III) 水合物

Database IDs

• CAS Number: 58176-69-5
• MDL Number: MFCD00674080
• PubChem SID: 162231705; 24870098
• PubChem CID: 71310048

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1442
• LogD (pH = 7.4): 4.1442
• Log P: 4.1442
• Molar Refractivity: 37.7502 cm^3
• Polarizability: 30.325043 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-46
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99% trace metals basis
• Linear Formula: Dy2(C2O4)3 · xH2O

DETAILS

Sigma Aldrich - 463795

包装
5 g in glass bottle