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

C7H15O9P — CID 70367512

IUPAC[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O9P/c8-1-3-4(10)5(11)7(2-9,16-3)6(12)17(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6?,7-/m1/s1
InChIKeyDUEVDOGXHOKINV-DXDUYESSSA-N
MW274.16 g/mol
LogP-3.67
Rot. Bonds4

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

[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid (PubChem CID 70367512) has the molecular formula C7H15O9P and a molecular weight of 274.16 g/mol. Its IUPAC name is [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid.

Molecular Properties

Compound Name[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
PubChem CID70367512
Molecular FormulaC7H15O9P
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O9P/c8-1-3-4(10)5(11)7(2-9,16-3)6(12)17(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6?,7-/m1/s1
InChIKeyDUEVDOGXHOKINV-DXDUYESSSA-N
XLogP-3.67
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.16
LogP ≤ 5-3.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid
CID 70363464
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 176987115
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 141311551
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 70436487
[(2R,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 24802142
(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
CID 142629032
(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 164603128
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The IUPAC name of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid (CID 70367512) is [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid.
What is the SMILES notation for [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The canonical SMILES for [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid is O=P(O)(O)C(O)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The InChIKey is DUEVDOGXHOKINV-DXDUYESSSA-N. The full InChI is InChI=1S/C7H15O9P/c8-1-3-4(10)5(11)7(2-9,16-3)6(12)17(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6?,7-/m1/s1.
What are the key properties of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid has a molecular weight of 274.16 g/mol, XLogP of -3.67, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid is sourced from PubChem (CID 70367512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).