methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid

C7H15O8P — CID 89181885

IUPACmethyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
SMILESCP(=O)(O)OCC1O[C@H](O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c1-16(12,13)14-2-3-4(8)5(9)6(10)7(11)15-3/h3-11H,2H2,1H3,(H,12,13)/t3?,4-,5+,6?,7+/m1/s1
InChIKeyUQJDGYJOWJSSON-UACUTCHMSA-N
MW258.16 g/mol
LogP-2.38
Rot. Bonds3

About methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid

methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid (PubChem CID 89181885) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
PubChem CID89181885
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Namemethyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
SMILESCP(=O)(O)OCC1O[C@H](O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c1-16(12,13)14-2-3-4(8)5(9)6(10)7(11)15-3/h3-11H,2H2,1H3,(H,12,13)/t3?,4-,5+,6?,7+/m1/s1
InChIKeyUQJDGYJOWJSSON-UACUTCHMSA-N
XLogP-2.38
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 131865245
CID 131865245
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
[(2R,3S,4R,5R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methoxy-methylphosphinic acid
CID 59119173
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199

Frequently Asked Questions

What is the IUPAC name of methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid?
The IUPAC name of methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid (CID 89181885) is methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid.
What is the SMILES notation for methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid?
The canonical SMILES for methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid is CP(=O)(O)OCC1O[C@H](O)C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid?
The InChIKey is UQJDGYJOWJSSON-UACUTCHMSA-N. The full InChI is InChI=1S/C7H15O8P/c1-16(12,13)14-2-3-4(8)5(9)6(10)7(11)15-3/h3-11H,2H2,1H3,(H,12,13)/t3?,4-,5+,6?,7+/m1/s1.
What are the key properties of methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid?
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid has a molecular weight of 258.16 g/mol, XLogP of -2.38, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid is sourced from PubChem (CID 89181885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).