[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

C10H19O8P — CID 101369485

IUPAC[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OC[C@@H]1OCC[C@@H]1O)O[C@@H]1CCO[C@H]1CO
InChIInChI=1S/C10H19O8P/c11-5-9-8(2-4-15-9)18-19(13,14)17-6-10-7(12)1-3-16-10/h7-12H,1-6H2,(H,13,14)/t7-,8+,9-,10-/m0/s1
InChIKeyOGXNUYSXHHDRHD-JXUBOQSCSA-N
MW298.23 g/mol
LogP-0.58
Rot. Bonds6

About [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 101369485) has the molecular formula C10H19O8P and a molecular weight of 298.23 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID101369485
Molecular FormulaC10H19O8P
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC Name[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OC[C@@H]1OCC[C@@H]1O)O[C@@H]1CCO[C@H]1CO
InChIInChI=1S/C10H19O8P/c11-5-9-8(2-4-15-9)18-19(13,14)17-6-10-7(12)1-3-16-10/h7-12H,1-6H2,(H,13,14)/t7-,8+,9-,10-/m0/s1
InChIKeyOGXNUYSXHHDRHD-JXUBOQSCSA-N
XLogP-0.58
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833
(2R)-2-[[[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-[(E)-pent-3-enyl]sulfanylphosphoryl]oxymethyl]oxolan-3-ol
CID 161283653
[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 102403560
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
CID 88941325
CID 88941325
[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 71089787
6-aminohexyl [(2R)-2-(hydroperoxymethyl)oxolan-3-yl] hydrogen phosphate
CID 90078312
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
[(2R,5R)-5-(aminomethylideneamino)-2-(hydroxymethyl)oxolan-3-yl] [(2R,5R)-5-(aminomethylideneamino)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 174033171

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 101369485) is [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is O=P(O)(OC[C@@H]1OCC[C@@H]1O)O[C@@H]1CCO[C@H]1CO.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is OGXNUYSXHHDRHD-JXUBOQSCSA-N. The full InChI is InChI=1S/C10H19O8P/c11-5-9-8(2-4-15-9)18-19(13,14)17-6-10-7(12)1-3-16-10/h7-12H,1-6H2,(H,13,14)/t7-,8+,9-,10-/m0/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 298.23 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 101369485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).