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

C5H11O8P — CID 22884854

IUPAC[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C5H11O8P/c6-1-2-4(13-14(9,10)11)3(7)5(8)12-2/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyRUGYPUCYNROMOO-AIHAYLRMSA-N
MW230.11 g/mol
LogP-2.47
Rot. Bonds3

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

[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate (PubChem CID 22884854) has the molecular formula C5H11O8P and a molecular weight of 230.11 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
PubChem CID22884854
Molecular FormulaC5H11O8P
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C5H11O8P/c6-1-2-4(13-14(9,10)11)3(7)5(8)12-2/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyRUGYPUCYNROMOO-AIHAYLRMSA-N
XLogP-2.47
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 69108412
N,N-diethylethanamine;[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-phosphonooxyoxan-3-yl] dihydrogen phosphate
CID 57325776
[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dihydrogen phosphate
CID 146017842
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
CID 11308901
[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] dihydrogen phosphate
CID 90657367
[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 134857855
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
[(1R,2R,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 11762822
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate (CID 22884854) is [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate is O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1CO.
What is the InChIKey of [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate?
The InChIKey is RUGYPUCYNROMOO-AIHAYLRMSA-N. The full InChI is InChI=1S/C5H11O8P/c6-1-2-4(13-14(9,10)11)3(7)5(8)12-2/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate?
[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate has a molecular weight of 230.11 g/mol, XLogP of -2.47, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 22884854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).