[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate

C6H13O7P — CID 71089787

IUPAC[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1OCC[C@@H](O)C1O
InChIInChI=1S/C6H13O7P/c7-4-1-2-12-5(6(4)8)3-13-14(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-,6?/m1/s1
InChIKeyOJZMXWJGVQALKD-QYRBDRAASA-N
MW228.14 g/mol
LogP-1.39
Rot. Bonds3

About [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate

[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate (PubChem CID 71089787) has the molecular formula C6H13O7P and a molecular weight of 228.14 g/mol. Its IUPAC name is [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
PubChem CID71089787
Molecular FormulaC6H13O7P
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1OCC[C@@H](O)C1O
InChIInChI=1S/C6H13O7P/c7-4-1-2-12-5(6(4)8)3-13-14(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-,6?/m1/s1
InChIKeyOJZMXWJGVQALKD-QYRBDRAASA-N
XLogP-1.39
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
CID 129015327
2-(phenoxymethyl)oxane-3,4-diol
CID 171557855
2,4,5-trihydroxy-6-(phosphonooxymethyl)oxane-2-carboxylic acid
CID 14380869
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[(2S,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CID 123165399
[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate
CID 10063126
CID 133112741
CID 133112741
[(2R,3S,4S)-3,4,5-trihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 135075716

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate (CID 71089787) is [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate is O=P(O)(O)OC[C@H]1OCC[C@@H](O)C1O.
What is the InChIKey of [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate?
The InChIKey is OJZMXWJGVQALKD-QYRBDRAASA-N. The full InChI is InChI=1S/C6H13O7P/c7-4-1-2-12-5(6(4)8)3-13-14(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-,6?/m1/s1.
What are the key properties of [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate?
[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 228.14 g/mol, XLogP of -1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 71089787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).