2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatricyclo[7.3.0.03,7]dodecane-5,11-dione

• ChemBase ID: 127699
• Molecular Formular: C6H4N12O14
• Molecular Mass: 468.16796
• Monoisotopic Mass: 467.99699287
• SMILES: O=C1N([N+](=O)[O-])C2C(N1[N+](=O)[O-])N([N+](=O)[O-])C1C(N2[N+](=O)[O-])N([N+](=O)[O-])C(=O)N1[N+](=O)[O-]
• Canonical SMILES: O=C1N([N+](=O)[O-])C2C(N1[N+](=O)[O-])N([N+](=O)[O-])C1C(N2[N+](=O)[O-])N([N+](=O)[O-])C(=O)N1[N+](=O)[O-]
• InChI: InChI=1S/C6H4N12O14/c19-5-9(15(25)26)1-2(10(5)16(27)28)8(14(23)24)4-3(7(1)13(21)22)11(17(29)30)6(20)12(4)18(31)32/h1-4H
• InChIKey: ZFBXJPJQJKATGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatricyclo[7.3.0.0^3,^7]dodecane-5,11-dione
• IUPAC Traditional name: hhtdd
• Synonyms: HHTDD

Database IDs

• PubChem SID: 162222017
• PubChem CID: 14870237
• Chemspider ID: 23078717
• Wikipedia Title: HHTDD

CALCULATED PROPERTIES

• Acid pKa: 17.376917
• H Acceptors: 20
• H Donor: 0
• LogD (pH = 5.5): 0.13291685
• LogD (pH = 7.4): 0.13291685
• Log P: 0.13291685
• Molar Refractivity: 85.0456 cm^3
• Polarizability: 29.773148 Å^3
• Polar Surface Area: 328.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Explosive Velocity: 9700 m/s