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

C7H14FO8P — CID 70363464

IUPAC[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FO8P/c8-6(17(13,14)15)7(2-10)5(12)4(11)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6?,7-/m1/s1
InChIKeyOYWUPLXQYMYQNB-DXDUYESSSA-N
MW276.15 g/mol
LogP-2.70
Rot. Bonds4

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

[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid (PubChem CID 70363464) has the molecular formula C7H14FO8P and a molecular weight of 276.15 g/mol. Its IUPAC name is [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid
PubChem CID70363464
Molecular FormulaC7H14FO8P
Molecular Weight276.15 g/mol
Exact Mass276.04
IUPAC Name[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FO8P/c8-6(17(13,14)15)7(2-10)5(12)4(11)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6?,7-/m1/s1
InChIKeyOYWUPLXQYMYQNB-DXDUYESSSA-N
XLogP-2.70
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.15
LogP ≤ 5-2.70
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,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 70367512
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 176987115
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 170546402
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(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
[(3S,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
CID 146036935
(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)-2,5-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,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 24802142
2-[2-[1-[2-[1-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]ethoxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethoxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155331322
(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 164603128

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid?
The IUPAC name of [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid (CID 70363464) is [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid.
What is the SMILES notation for [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid?
The canonical SMILES for [[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid is O=P(O)(O)C(F)[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]-fluoromethyl]phosphonic acid?
The InChIKey is OYWUPLXQYMYQNB-DXDUYESSSA-N. The full InChI is InChI=1S/C7H14FO8P/c8-6(17(13,14)15)7(2-10)5(12)4(11)3(1-9)16-7/h3-6,9-12H,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]-fluoromethyl]phosphonic acid?
[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid has a molecular weight of 276.15 g/mol, XLogP of -2.70, 4 rotatable bonds, 6 hydrogen bond donors, and 6 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]-fluoromethyl]phosphonic acid is sourced from PubChem (CID 70363464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).