bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)

C20H44Co2N8O8P2-2 — CID 6398139

IUPACbis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
SMILESNCCN.NCCN.O=P(O)(O)Oc1ccccc1.O=P(O)(O)Oc1ccccc1.[Co].[Co].[NH-]CCN.[NH-]CCN
InChIInChI=1S/2C6H7O4P.2C2H8N2.2C2H7N2.2Co/c2*7-11(8,9)10-6-4-2-1-3-5-6;4*3-1-2-4;;/h2*1-5H,(H2,7,8,9);2*1-4H2;2*3H,1-2,4H2;;/q;;;;2*-1;;
InChIKeyNHDQUMKWDKHOHJ-UHFFFAOYSA-N
MW704.43 g/mol
LogP0.11
Rot. Bonds8

About bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)

bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate) (PubChem CID 6398139) has the molecular formula C20H44Co2N8O8P2-2 and a molecular weight of 704.43 g/mol. Its IUPAC name is bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate).

Molecular Properties

Compound Namebis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
PubChem CID6398139
Molecular FormulaC20H44Co2N8O8P2-2
Molecular Weight704.43 g/mol
Exact Mass704.14
IUPAC Namebis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
SMILESNCCN.NCCN.O=P(O)(O)Oc1ccccc1.O=P(O)(O)Oc1ccccc1.[Co].[Co].[NH-]CCN.[NH-]CCN
InChIInChI=1S/2C6H7O4P.2C2H8N2.2C2H7N2.2Co/c2*7-11(8,9)10-6-4-2-1-3-5-6;4*3-1-2-4;;/h2*1-5H,(H2,7,8,9);2*1-4H2;2*3H,1-2,4H2;;/q;;;;2*-1;;
InChIKeyNHDQUMKWDKHOHJ-UHFFFAOYSA-N
XLogP0.11
TPSA337.24 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.43
LogP ≤ 50.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 131875092
CID 131875092
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[3-amino-1-hydroxy-1-[hydroxy(phenoxy)phosphoryl]propyl]-phenoxyphosphinic acid
CID 16754559
cesium phenyl hydrogen phosphate
CID 175568082
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
phenyl dihydrogen phosphate;1-phenylpropane-1,1-diol
CID 174749321
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)?
The IUPAC name of bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate) (CID 6398139) is bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate).
What is the SMILES notation for bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)?
The canonical SMILES for bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate) is NCCN.NCCN.O=P(O)(O)Oc1ccccc1.O=P(O)(O)Oc1ccccc1.[Co].[Co].[NH-]CCN.[NH-]CCN.
What is the InChIKey of bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)?
The InChIKey is NHDQUMKWDKHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7O4P.2C2H8N2.2C2H7N2.2Co/c2*7-11(8,9)10-6-4-2-1-3-5-6;4*3-1-2-4;;/h2*1-5H,(H2,7,8,9);2*1-4H2;2*3H,1-2,4H2;;/q;;;;2*-1;;.
What are the key properties of bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)?
bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate) has a molecular weight of 704.43 g/mol, XLogP of 0.11, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate) is sourced from PubChem (CID 6398139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).