acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper

C8H24CuN2O12P2 — CID 139211800

IUPACacetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
SMILESCC(=O)O.CC(=O)O.NCCOP(=O)(O)O.NCCOP(=O)(O)O.[Cu]
InChIInChI=1S/2C2H8NO4P.2C2H4O2.Cu/c2*3-1-2-7-8(4,5)6;2*1-2(3)4;/h2*1-3H2,(H2,4,5,6);2*1H3,(H,3,4);
InChIKeyMDEWJBCWBYDMKR-UHFFFAOYSA-N
MW465.78 g/mol
LogP-1.71
Rot. Bonds6

About acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper

acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper (PubChem CID 139211800) has the molecular formula C8H24CuN2O12P2 and a molecular weight of 465.78 g/mol. Its IUPAC name is acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper.

Molecular Properties

Compound Nameacetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
PubChem CID139211800
Molecular FormulaC8H24CuN2O12P2
Molecular Weight465.78 g/mol
Exact Mass465.01
IUPAC Nameacetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
SMILESCC(=O)O.CC(=O)O.NCCOP(=O)(O)O.NCCOP(=O)(O)O.[Cu]
InChIInChI=1S/2C2H8NO4P.2C2H4O2.Cu/c2*3-1-2-7-8(4,5)6;2*1-2(3)4;/h2*1-3H2,(H2,4,5,6);2*1H3,(H,3,4);
InChIKeyMDEWJBCWBYDMKR-UHFFFAOYSA-N
XLogP-1.71
TPSA260.16 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.78
LogP ≤ 5-1.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 174640608
CID 174640608
acetic acid;copper;ethane-1,2-diamine
CID 88782929
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
CID 170987656
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
propyl dihydrogen phosphate;urea
CID 88818408
2-aminoethyl dihydrogen phosphate;pyrrole-2,5-dione
CID 159685474
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
2-aminoethoxyphosphonamidic acid
CID 139489144
30-aminotriacontyl dihydrogen phosphate
CID 87681380

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper?
The IUPAC name of acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper (CID 139211800) is acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper.
What is the SMILES notation for acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper?
The canonical SMILES for acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper is CC(=O)O.CC(=O)O.NCCOP(=O)(O)O.NCCOP(=O)(O)O.[Cu].
What is the InChIKey of acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper?
The InChIKey is MDEWJBCWBYDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8NO4P.2C2H4O2.Cu/c2*3-1-2-7-8(4,5)6;2*1-2(3)4;/h2*1-3H2,(H2,4,5,6);2*1H3,(H,3,4);.
What are the key properties of acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper?
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper has a molecular weight of 465.78 g/mol, XLogP of -1.71, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper is sourced from PubChem (CID 139211800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).