[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium

C3H8O5P+ — CID 88613904

IUPAC[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
SMILESC[C@H](O)[C@@H](O)O[P+](=O)O
InChIInChI=1S/C3H7O5P/c1-2(4)3(5)8-9(6)7/h2-5H,1H3/p+1/t2-,3-/m0/s1
InChIKeyDXRWGTWGWCHYQK-HRFVKAFMSA-O
MW155.07 g/mol
LogP-0.65
Rot. Bonds3

About [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium

[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium (PubChem CID 88613904) has the molecular formula C3H8O5P+ and a molecular weight of 155.07 g/mol. Its IUPAC name is [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
PubChem CID88613904
Molecular FormulaC3H8O5P+
Molecular Weight155.07 g/mol
Exact Mass155.01
IUPAC Name[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
SMILESC[C@H](O)[C@@H](O)O[P+](=O)O
InChIInChI=1S/C3H7O5P/c1-2(4)3(5)8-9(6)7/h2-5H,1H3/p+1/t2-,3-/m0/s1
InChIKeyDXRWGTWGWCHYQK-HRFVKAFMSA-O
XLogP-0.65
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
1-carboxyethoxy-hydroxy-oxophosphanium
CID 88801828
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
CID 87721898
hydroxy-[1-(octylamino)ethoxy]-oxophosphanium
CID 88693762
hydroxy-(1-isocyanatoethoxy)-oxophosphanium
CID 174762734
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
CID 88831056
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
CID 87157731
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
[(tert-butylamino)-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
CID 172813391
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
CID 88801560

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium (CID 88613904) is [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium is C[C@H](O)[C@@H](O)O[P+](=O)O.
What is the InChIKey of [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium?
The InChIKey is DXRWGTWGWCHYQK-HRFVKAFMSA-O. The full InChI is InChI=1S/C3H7O5P/c1-2(4)3(5)8-9(6)7/h2-5H,1H3/p+1/t2-,3-/m0/s1.
What are the key properties of [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium?
[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium has a molecular weight of 155.07 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 88613904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).