[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid

C8H17O7P — CID 101233580

IUPAC[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17O7P/c1-2-14-16(12,13)4-6-8(11)7(10)5(3-9)15-6/h5-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m1/s1
InChIKeyKEPMJNLETNXSHW-ULAWRXDQSA-N
MW256.19 g/mol
LogP-1.31
Rot. Bonds5

About [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid

[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid (PubChem CID 101233580) has the molecular formula C8H17O7P and a molecular weight of 256.19 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid
PubChem CID101233580
Molecular FormulaC8H17O7P
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17O7P/c1-2-14-16(12,13)4-6-8(11)7(10)5(3-9)15-6/h5-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m1/s1
InChIKeyKEPMJNLETNXSHW-ULAWRXDQSA-N
XLogP-1.31
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-1.31
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

[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
CID 90691668
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
CID 11492451
2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
CID 70363468
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3S,4S,5R)-2-(ethoxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44538123
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
CID 71458097
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid?
The IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid (CID 101233580) is [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid.
What is the SMILES notation for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid?
The canonical SMILES for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid is CCOP(=O)(O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid?
The InChIKey is KEPMJNLETNXSHW-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H17O7P/c1-2-14-16(12,13)4-6-8(11)7(10)5(3-9)15-6/h5-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid?
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid has a molecular weight of 256.19 g/mol, XLogP of -1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid is sourced from PubChem (CID 101233580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).