potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride

C6H17KNO5P — CID 174571533

IUPACpotassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride
SMILESCN(C)CC(O)CCOP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C6H16NO5P.K.H/c1-7(2)5-6(8)3-4-12-13(9,10)11;;/h6,8H,3-5H2,1-2H3,(H2,9,10,11);;/q;+1;-1
InChIKeyCFWLEWAVOZMMNI-UHFFFAOYSA-N
MW253.28 g/mol
LogP-3.48
Rot. Bonds6

About potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride

potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride (PubChem CID 174571533) has the molecular formula C6H17KNO5P and a molecular weight of 253.28 g/mol. Its IUPAC name is potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride.

Molecular Properties

Compound Namepotassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride
PubChem CID174571533
Molecular FormulaC6H17KNO5P
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Namepotassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride
SMILESCN(C)CC(O)CCOP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C6H16NO5P.K.H/c1-7(2)5-6(8)3-4-12-13(9,10)11;;/h6,8H,3-5H2,1-2H3,(H2,9,10,11);;/q;+1;-1
InChIKeyCFWLEWAVOZMMNI-UHFFFAOYSA-N
XLogP-3.48
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-3.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174223594
1,7-bis(dimethylamino)heptane-2,6-diol
CID 122517238
[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
CID 101416301
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
1-(dimethylamino)octane-2,7-diol
CID 123214691
1-(dimethylamino)-5-methylsulfonylpentan-2-ol
CID 79087206
5-aminohexyl dihydrogen phosphate
CID 18767611
3-[methyl(3-phosphonooxypropyl)amino]propyl dihydrogen phosphate
CID 58601805
(2S)-2-amino-4-hydroxybutanoic acid;(2S)-2-amino-4-phosphonooxybutanoic acid;methane
CID 164952984
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574

Frequently Asked Questions

What is the IUPAC name of potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride?
The IUPAC name of potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride (CID 174571533) is potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride.
What is the SMILES notation for potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride?
The canonical SMILES for potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride is CN(C)CC(O)CCOP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride?
The InChIKey is CFWLEWAVOZMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO5P.K.H/c1-7(2)5-6(8)3-4-12-13(9,10)11;;/h6,8H,3-5H2,1-2H3,(H2,9,10,11);;/q;+1;-1.
What are the key properties of potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride?
potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride has a molecular weight of 253.28 g/mol, XLogP of -3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride is sourced from PubChem (CID 174571533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).