bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium

C10H24N2O7P+ — CID 57230640

IUPACbis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium
SMILESNC(CCO)(CCO)O[P+](=O)OC(N)(CCO)CCO
InChIInChI=1S/C10H24N2O7P/c11-9(1-5-13,2-6-14)18-20(17)19-10(12,3-7-15)4-8-16/h13-16H,1-8,11-12H2/q+1
InChIKeyVNOWWTKAHDCUMQ-UHFFFAOYSA-N
MW315.28 g/mol
LogP-1.48
Rot. Bonds12

About bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium

bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium (PubChem CID 57230640) has the molecular formula C10H24N2O7P+ and a molecular weight of 315.28 g/mol. Its IUPAC name is bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium
PubChem CID57230640
Molecular FormulaC10H24N2O7P+
Molecular Weight315.28 g/mol
Exact Mass315.13
IUPAC Namebis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium
SMILESNC(CCO)(CCO)O[P+](=O)OC(N)(CCO)CCO
InChIInChI=1S/C10H24N2O7P/c11-9(1-5-13,2-6-14)18-20(17)19-10(12,3-7-15)4-8-16/h13-16H,1-8,11-12H2/q+1
InChIKeyVNOWWTKAHDCUMQ-UHFFFAOYSA-N
XLogP-1.48
TPSA168.49 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

bis(2-aminopropan-2-yloxy)-oxophosphanium
CID 87210634
(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate
CID 88661146
1-aminopropane-1,1,3-triol
CID 54460463
2,2-diamino-4-hydroxybutanoic acid
CID 21257162
3-amino-3-(2-hydroxyethyl)pentane-1,5-diol;sulfuric acid
CID 90239687
3-amino-3-chloropentane-1,5-diol
CID 88510587
3-amino-3-methylbutan-1-ol
CID 641000
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
CID 87319148
3-amino-3-(chloromethyl)pentane-1,5-diol
CID 56976862
2-aminoethanol;bis(dihydroxy(oxo)phosphanium)
CID 87134707
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643

Frequently Asked Questions

What is the IUPAC name of bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium?
The IUPAC name of bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium (CID 57230640) is bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium.
What is the SMILES notation for bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium?
The canonical SMILES for bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium is NC(CCO)(CCO)O[P+](=O)OC(N)(CCO)CCO.
What is the InChIKey of bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium?
The InChIKey is VNOWWTKAHDCUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O7P/c11-9(1-5-13,2-6-14)18-20(17)19-10(12,3-7-15)4-8-16/h13-16H,1-8,11-12H2/q+1.
What are the key properties of bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium?
bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium has a molecular weight of 315.28 g/mol, XLogP of -1.48, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-amino-1,5-dihydroxypentan-3-yl)oxy]-oxophosphanium is sourced from PubChem (CID 57230640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).