[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid

C11H26O6P2 — CID 13141546

IUPAC[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
SMILESCCC(O)(CC)P(=O)(O)CP(=O)(O)C(O)(CC)CC
InChIInChI=1S/C11H26O6P2/c1-5-10(12,6-2)18(14,15)9-19(16,17)11(13,7-3)8-4/h12-13H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyNPVAAZOHRBAQML-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.50
Rot. Bonds8

About [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid

[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid (PubChem CID 13141546) has the molecular formula C11H26O6P2 and a molecular weight of 316.27 g/mol. Its IUPAC name is [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid.

Molecular Properties

Compound Name[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
PubChem CID13141546
Molecular FormulaC11H26O6P2
Molecular Weight316.27 g/mol
Exact Mass316.12
IUPAC Name[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
SMILESCCC(O)(CC)P(=O)(O)CP(=O)(O)C(O)(CC)CC
InChIInChI=1S/C11H26O6P2/c1-5-10(12,6-2)18(14,15)9-19(16,17)11(13,7-3)8-4/h12-13H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyNPVAAZOHRBAQML-UHFFFAOYSA-N
XLogP2.50
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(3-hydroxypentan-3-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 123971949
2,2-diethylhexylphosphonic acid;ethanol
CID 157236281
methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
CID 158654735
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
butane;methane;phosphoric acid;hydrate
CID 173079168
azane;butyl dihydrogen phosphate
CID 173333807
5-butylnonan-5-amine;phosphoric acid
CID 88962478
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
CID 87107997
4-phosphonoheptan-4-ylphosphonic acid
CID 87800528
butylphosphane;phosphoric acid
CID 174472926

Frequently Asked Questions

What is the IUPAC name of [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid?
The IUPAC name of [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid (CID 13141546) is [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid.
What is the SMILES notation for [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid?
The canonical SMILES for [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid is CCC(O)(CC)P(=O)(O)CP(=O)(O)C(O)(CC)CC.
What is the InChIKey of [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid?
The InChIKey is NPVAAZOHRBAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6P2/c1-5-10(12,6-2)18(14,15)9-19(16,17)11(13,7-3)8-4/h12-13H,5-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid?
[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid has a molecular weight of 316.27 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid is sourced from PubChem (CID 13141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).