[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid

C7H15O8P — CID 46926290

IUPAC[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid
SMILESO=P(O)(O)C[C@H]1O[C@H](C(O)O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-3-1-4(7(10)11)15-5(6(3)9)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
InChIKeyRFDYJBWISAWOLP-MOJAZDJTSA-N
MW258.16 g/mol
LogP-2.65
Rot. Bonds3

About [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid

[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid (PubChem CID 46926290) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid.

Molecular Properties

Compound Name[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid
PubChem CID46926290
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid
SMILESO=P(O)(O)C[C@H]1O[C@H](C(O)O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-3-1-4(7(10)11)15-5(6(3)9)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
InChIKeyRFDYJBWISAWOLP-MOJAZDJTSA-N
XLogP-2.65
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid?
The IUPAC name of [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid (CID 46926290) is [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid.
What is the SMILES notation for [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid?
The canonical SMILES for [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid is O=P(O)(O)C[C@H]1O[C@H](C(O)O)C[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid?
The InChIKey is RFDYJBWISAWOLP-MOJAZDJTSA-N. The full InChI is InChI=1S/C7H15O8P/c8-3-1-4(7(10)11)15-5(6(3)9)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+/m1/s1.
What are the key properties of [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid?
[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid has a molecular weight of 258.16 g/mol, XLogP of -2.65, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid is sourced from PubChem (CID 46926290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).