[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate

C6H13O9P — CID 101460402

IUPAC[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O9P/c7-1-2(8)5-3(9)4(10)6(14-5)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyHCJGGGKBFSKUFL-UKFBFLRUSA-N
MW260.14 g/mol
LogP-3.10
Rot. Bonds4

About [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate

[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate (PubChem CID 101460402) has the molecular formula C6H13O9P and a molecular weight of 260.14 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
PubChem CID101460402
Molecular FormulaC6H13O9P
Molecular Weight260.14 g/mol
Exact Mass260.03
IUPAC Name[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O9P/c7-1-2(8)5-3(9)4(10)6(14-5)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyHCJGGGKBFSKUFL-UKFBFLRUSA-N
XLogP-3.10
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.14
LogP ≤ 5-3.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] phosphate
CID 46878581
[(2R,3R,4R,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydroxyoxan-3-yl] dihydrogen phosphate
CID 91851565
[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
CID 100966696
[(2S,4S,5S)-6-[(1R)-2-(2-aminoethoxy)-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
CID 155630587
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
CID 175617994
[(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
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate?
The IUPAC name of [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate (CID 101460402) is [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate is O=P(O)(O)O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate?
The InChIKey is HCJGGGKBFSKUFL-UKFBFLRUSA-N. The full InChI is InChI=1S/C6H13O9P/c7-1-2(8)5-3(9)4(10)6(14-5)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate?
[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate has a molecular weight of 260.14 g/mol, XLogP of -3.10, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 101460402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).