[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid

C6H13O8P — CID 71458097

IUPAC[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c7-1-2-3(8)4(9)5(10)6(14-2)15(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m0/s1
InChIKeyINVLJZOABUHBTI-GKFJPSPNSA-N
MW244.14 g/mol
LogP-3.04
Rot. Bonds2

About [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid (PubChem CID 71458097) has the molecular formula C6H13O8P and a molecular weight of 244.14 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
PubChem CID71458097
Molecular FormulaC6H13O8P
Molecular Weight244.14 g/mol
Exact Mass244.03
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c7-1-2-3(8)4(9)5(10)6(14-2)15(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m0/s1
InChIKeyINVLJZOABUHBTI-GKFJPSPNSA-N
XLogP-3.04
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.14
LogP ≤ 5-3.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
CID 70363468
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
phosphono [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 18657738

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid?
The IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid (CID 71458097) is [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid is O=P(O)(O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid?
The InChIKey is INVLJZOABUHBTI-GKFJPSPNSA-N. The full InChI is InChI=1S/C6H13O8P/c7-1-2-3(8)4(9)5(10)6(14-2)15(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m0/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid?
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid has a molecular weight of 244.14 g/mol, XLogP of -3.04, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid is sourced from PubChem (CID 71458097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).