[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate

C5H9O8P — CID 101466754

IUPAC[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-4,6-7H,1H2,(H2,9,10,11)/t2-,3-,4-/m1/s1
InChIKeyBBDKIROTABXPPX-BXXZVTAOSA-N
MW228.09 g/mol
LogP-2.26
Rot. Bonds3

About [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 101466754) has the molecular formula C5H9O8P and a molecular weight of 228.09 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate
PubChem CID101466754
Molecular FormulaC5H9O8P
Molecular Weight228.09 g/mol
Exact Mass228.00
IUPAC Name[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-4,6-7H,1H2,(H2,9,10,11)/t2-,3-,4-/m1/s1
InChIKeyBBDKIROTABXPPX-BXXZVTAOSA-N
XLogP-2.26
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
CID 6398616
[(2R,3R,5S)-3,5,6-trihydroxy-4-oxooxan-2-yl]methyl dihydrogen phosphate
CID 71668264
CID 131865245
CID 131865245
(3R,4R,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298554
5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
CID 75089328
(3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298555
[(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
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
(3S,4R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143531523
(4S)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143150589

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate (CID 101466754) is [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate is O=C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is BBDKIROTABXPPX-BXXZVTAOSA-N. The full InChI is InChI=1S/C5H9O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-4,6-7H,1H2,(H2,9,10,11)/t2-,3-,4-/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 228.09 g/mol, XLogP of -2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 101466754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).