[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium

C3H9NO4P+ — CID 87190304

IUPAC[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
SMILESC[C@@H](O)[C@H](N)O[P+](=O)O
InChIInChI=1S/C3H8NO4P/c1-2(5)3(4)8-9(6)7/h2-3,5H,4H2,1H3/p+1/t2-,3-/m1/s1
InChIKeyKWOPAVHARGOLQY-PWNYCUMCSA-O
MW154.08 g/mol
LogP-0.68
Rot. Bonds3

About [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium

[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium (PubChem CID 87190304) has the molecular formula C3H9NO4P+ and a molecular weight of 154.08 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
PubChem CID87190304
Molecular FormulaC3H9NO4P+
Molecular Weight154.08 g/mol
Exact Mass154.03
IUPAC Name[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
SMILESC[C@@H](O)[C@H](N)O[P+](=O)O
InChIInChI=1S/C3H8NO4P/c1-2(5)3(4)8-9(6)7/h2-3,5H,4H2,1H3/p+1/t2-,3-/m1/s1
InChIKeyKWOPAVHARGOLQY-PWNYCUMCSA-O
XLogP-0.68
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 5-0.68
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

[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
CID 88613904
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
CID 87721898
1-carboxyethoxy-hydroxy-oxophosphanium
CID 88801828
(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine
CID 15590424
[(tert-butylamino)-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
CID 172813391
hydroxy-(1-isocyanatoethoxy)-oxophosphanium
CID 174762734
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium (CID 87190304) is [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium is C[C@@H](O)[C@H](N)O[P+](=O)O.
What is the InChIKey of [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium?
The InChIKey is KWOPAVHARGOLQY-PWNYCUMCSA-O. The full InChI is InChI=1S/C3H8NO4P/c1-2(5)3(4)8-9(6)7/h2-3,5H,4H2,1H3/p+1/t2-,3-/m1/s1.
What are the key properties of [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium?
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium has a molecular weight of 154.08 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 87190304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).