[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid

C8H17O6P — CID 158256198

IUPAC[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
SMILESCO[C@H]1[C@@H](O)[C@H](C)O[C@@H]1COP(C)(=O)O
InChIInChI=1S/C8H17O6P/c1-5-7(9)8(12-2)6(14-5)4-13-15(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)/t5-,6+,7-,8+/m0/s1
InChIKeyGHHWGBXQYUFHFM-FKSUSPILSA-N
MW240.19 g/mol
LogP-0.02
Rot. Bonds4

About [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid

[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid (PubChem CID 158256198) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
PubChem CID158256198
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Name[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
SMILESCO[C@H]1[C@@H](O)[C@H](C)O[C@@H]1COP(C)(=O)O
InChIInChI=1S/C8H17O6P/c1-5-7(9)8(12-2)6(14-5)4-13-15(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)/t5-,6+,7-,8+/m0/s1
InChIKeyGHHWGBXQYUFHFM-FKSUSPILSA-N
XLogP-0.02
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
CID 59974518
CID 59974518
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
[(2R,3S,4R,5R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methoxy-methylphosphinic acid
CID 59119173
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
CID 160945376

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid?
The IUPAC name of [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid (CID 158256198) is [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid.
What is the SMILES notation for [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid?
The canonical SMILES for [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid is CO[C@H]1[C@@H](O)[C@H](C)O[C@@H]1COP(C)(=O)O.
What is the InChIKey of [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid?
The InChIKey is GHHWGBXQYUFHFM-FKSUSPILSA-N. The full InChI is InChI=1S/C8H17O6P/c1-5-7(9)8(12-2)6(14-5)4-13-15(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)/t5-,6+,7-,8+/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid?
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid has a molecular weight of 240.19 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid is sourced from PubChem (CID 158256198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).