[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium

C4H8O6P+ — CID 57370366

IUPAC[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium
SMILESO=C(CO[P+](=O)O)[C@H](O)CO
InChIInChI=1S/C4H7O6P/c5-1-3(6)4(7)2-10-11(8)9/h3,5-6H,1-2H2/p+1/t3-/m1/s1
InChIKeyMTHNEVOGPPIWLJ-GSVOUGTGSA-O
MW183.08 g/mol
LogP-1.42
Rot. Bonds5

About [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium

[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium (PubChem CID 57370366) has the molecular formula C4H8O6P+ and a molecular weight of 183.08 g/mol. Its IUPAC name is [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium
PubChem CID57370366
Molecular FormulaC4H8O6P+
Molecular Weight183.08 g/mol
Exact Mass183.01
IUPAC Name[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium
SMILESO=C(CO[P+](=O)O)[C@H](O)CO
InChIInChI=1S/C4H7O6P/c5-1-3(6)4(7)2-10-11(8)9/h3,5-6H,1-2H2/p+1/t3-/m1/s1
InChIKeyMTHNEVOGPPIWLJ-GSVOUGTGSA-O
XLogP-1.42
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium (CID 57370366) is [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium is O=C(CO[P+](=O)O)[C@H](O)CO.
What is the InChIKey of [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium?
The InChIKey is MTHNEVOGPPIWLJ-GSVOUGTGSA-O. The full InChI is InChI=1S/C4H7O6P/c5-1-3(6)4(7)2-10-11(8)9/h3,5-6H,1-2H2/p+1/t3-/m1/s1.
What are the key properties of [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium?
[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium has a molecular weight of 183.08 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 57370366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).