[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid

C12H30NO5PSi — CID 158047486

IUPAC[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid
SMILESCN(CCCC[Si](C)(C)O)CCCC(C)(O)P(=O)(O)O
InChIInChI=1S/C12H30NO5PSi/c1-12(14,19(15,16)17)8-7-10-13(2)9-5-6-11-20(3,4)18/h14,18H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyRDNYPTRDMHUJHD-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.56
Rot. Bonds10

About [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid

[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid (PubChem CID 158047486) has the molecular formula C12H30NO5PSi and a molecular weight of 327.43 g/mol. Its IUPAC name is [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid
PubChem CID158047486
Molecular FormulaC12H30NO5PSi
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid
SMILESCN(CCCC[Si](C)(C)O)CCCC(C)(O)P(=O)(O)O
InChIInChI=1S/C12H30NO5PSi/c1-12(14,19(15,16)17)8-7-10-13(2)9-5-6-11-20(3,4)18/h14,18H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyRDNYPTRDMHUJHD-UHFFFAOYSA-N
XLogP1.56
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid?
The IUPAC name of [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid (CID 158047486) is [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid.
What is the SMILES notation for [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid?
The canonical SMILES for [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid is CN(CCCC[Si](C)(C)O)CCCC(C)(O)P(=O)(O)O.
What is the InChIKey of [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid?
The InChIKey is RDNYPTRDMHUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30NO5PSi/c1-12(14,19(15,16)17)8-7-10-13(2)9-5-6-11-20(3,4)18/h14,18H,5-11H2,1-4H3,(H2,15,16,17).
What are the key properties of [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid?
[2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid has a molecular weight of 327.43 g/mol, XLogP of 1.56, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-[4-[hydroxy(dimethyl)silyl]butyl-methylamino]pentan-2-yl]phosphonic acid is sourced from PubChem (CID 158047486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).