(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate

C9H22NO6P — CID 88661146

IUPAC(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(N)(CCO)CCO
InChIInChI=1S/C9H22NO6P/c1-3-14-17(13,15-4-2)16-9(10,5-7-11)6-8-12/h11-12H,3-8,10H2,1-2H3
InChIKeySXDUVAALFULMDD-UHFFFAOYSA-N
MW271.25 g/mol
LogP0.60
Rot. Bonds10

About (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate

(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate (PubChem CID 88661146) has the molecular formula C9H22NO6P and a molecular weight of 271.25 g/mol. Its IUPAC name is (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate.

Molecular Properties

Compound Name(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate
PubChem CID88661146
Molecular FormulaC9H22NO6P
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(N)(CCO)CCO
InChIInChI=1S/C9H22NO6P/c1-3-14-17(13,15-4-2)16-9(10,5-7-11)6-8-12/h11-12H,3-8,10H2,1-2H3
InChIKeySXDUVAALFULMDD-UHFFFAOYSA-N
XLogP0.60
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
CID 87319148
diethoxy ethyl phosphate
CID 22136775
acetic acid;triethyl phosphate
CID 161446956
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
2-methylpropanamide;triethyl phosphate
CID 155316510
3-amino-3-methylbutan-1-ol
CID 641000
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
tris(5-hydroxy-3,3-dimethylpentyl) phosphate
CID 139533089
ethyl bis(1,1,2-trichloroethyl) phosphate
CID 139654084
aluminum;triethyl phosphate;phosphate
CID 174993171

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate?
The IUPAC name of (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate (CID 88661146) is (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate.
What is the SMILES notation for (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate?
The canonical SMILES for (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate is CCOP(=O)(OCC)OC(N)(CCO)CCO.
What is the InChIKey of (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate?
The InChIKey is SXDUVAALFULMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO6P/c1-3-14-17(13,15-4-2)16-9(10,5-7-11)6-8-12/h11-12H,3-8,10H2,1-2H3.
What are the key properties of (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate?
(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate has a molecular weight of 271.25 g/mol, XLogP of 0.60, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate is sourced from PubChem (CID 88661146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).