ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium

C7H18N2O6P2 — CID 22174412

IUPACethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
SMILESNCCN.O=[P+]([O-])OCCCCCO[P+](=O)[O-]
InChIInChI=1S/C5H10O6P2.C2H8N2/c6-12(7)10-4-2-1-3-5-11-13(8)9;3-1-2-4/h1-5H2;1-4H2
InChIKeyQZNNNEPXTWALKV-UHFFFAOYSA-N
MW288.18 g/mol
LogP-0.87
Rot. Bonds9

About ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium

ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium (PubChem CID 22174412) has the molecular formula C7H18N2O6P2 and a molecular weight of 288.18 g/mol. Its IUPAC name is ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium.

Molecular Properties

Compound Nameethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
PubChem CID22174412
Molecular FormulaC7H18N2O6P2
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Nameethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
SMILESNCCN.O=[P+]([O-])OCCCCCO[P+](=O)[O-]
InChIInChI=1S/C5H10O6P2.C2H8N2/c6-12(7)10-4-2-1-3-5-11-13(8)9;3-1-2-4/h1-5H2;1-4H2
InChIKeyQZNNNEPXTWALKV-UHFFFAOYSA-N
XLogP-0.87
TPSA150.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
calcium bis(octoxy-oxido-oxophosphanium)
CID 57351629
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
CID 57356188
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
oxido-oxo-(4-trihydroxysilylbutoxy)phosphanium
CID 21125217
tetrasodium;bis(dioxido(oxo)phosphanium);ethane-1,2-diamine
CID 175441784
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
6-benzylsulfanylhexoxy-oxido-oxophosphanium
CID 58473223
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 23393003
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium?
The IUPAC name of ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium (CID 22174412) is ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium.
What is the SMILES notation for ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium?
The canonical SMILES for ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium is NCCN.O=[P+]([O-])OCCCCCO[P+](=O)[O-].
What is the InChIKey of ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium?
The InChIKey is QZNNNEPXTWALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6P2.C2H8N2/c6-12(7)10-4-2-1-3-5-11-13(8)9;3-1-2-4/h1-5H2;1-4H2.
What are the key properties of ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium?
ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium has a molecular weight of 288.18 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium is sourced from PubChem (CID 22174412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).