hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium

C6H13O6P2+ — CID 22644301

IUPAChydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
SMILESO=[P+]([O-])OCCCCCCO[P+](=O)O
InChIInChI=1S/C6H12O6P2/c7-13(8)11-5-3-1-2-4-6-12-14(9)10/h1-6H2/p+1
InChIKeyHRYMGLRPXFOORS-UHFFFAOYSA-O
MW243.11 g/mol
LogP1.25
Rot. Bonds9

About hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium

hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium (PubChem CID 22644301) has the molecular formula C6H13O6P2+ and a molecular weight of 243.11 g/mol. Its IUPAC name is hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
PubChem CID22644301
Molecular FormulaC6H13O6P2+
Molecular Weight243.11 g/mol
Exact Mass243.02
IUPAC Namehydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
SMILESO=[P+]([O-])OCCCCCCO[P+](=O)O
InChIInChI=1S/C6H12O6P2/c7-13(8)11-5-3-1-2-4-6-12-14(9)10/h1-6H2/p+1
InChIKeyHRYMGLRPXFOORS-UHFFFAOYSA-O
XLogP1.25
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
CID 22174412
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
oxido-oxo-tetracosoxyphosphanium
CID 57352033
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
CID 57356188
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
calcium bis(octoxy-oxido-oxophosphanium)
CID 57351629
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
oxido-oxo-(4-trihydroxysilylbutoxy)phosphanium
CID 21125217
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium (CID 22644301) is hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium is O=[P+]([O-])OCCCCCCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium?
The InChIKey is HRYMGLRPXFOORS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12O6P2/c7-13(8)11-5-3-1-2-4-6-12-14(9)10/h1-6H2/p+1.
What are the key properties of hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium?
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium has a molecular weight of 243.11 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium is sourced from PubChem (CID 22644301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).