(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid

C5H8F2O7S — CID 150048465

IUPAC(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1O[C@H](C(O)(F)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8F2O7S/c6-5(7,10)3-1(8)2(9)4(14-3)15(11,12)13/h1-4,8-10H,(H,11,12,13)/t1-,2+,3-,4?/m0/s1
InChIKeyDKUDLNYPKZPDMV-OQFSXRIOSA-N
MW250.18 g/mol
LogP-2.09
Rot. Bonds2

About (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid

(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid (PubChem CID 150048465) has the molecular formula C5H8F2O7S and a molecular weight of 250.18 g/mol. Its IUPAC name is (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid.

Molecular Properties

Compound Name(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid
PubChem CID150048465
Molecular FormulaC5H8F2O7S
Molecular Weight250.18 g/mol
Exact Mass250.00
IUPAC Name(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1O[C@H](C(O)(F)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8F2O7S/c6-5(7,10)3-1(8)2(9)4(14-3)15(11,12)13/h1-4,8-10H,(H,11,12,13)/t1-,2+,3-,4?/m0/s1
InChIKeyDKUDLNYPKZPDMV-OQFSXRIOSA-N
XLogP-2.09
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid?
The IUPAC name of (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid (CID 150048465) is (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid.
What is the SMILES notation for (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid?
The canonical SMILES for (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid is O=S(=O)(O)C1O[C@H](C(O)(F)F)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid?
The InChIKey is DKUDLNYPKZPDMV-OQFSXRIOSA-N. The full InChI is InChI=1S/C5H8F2O7S/c6-5(7,10)3-1(8)2(9)4(14-3)15(11,12)13/h1-4,8-10H,(H,11,12,13)/t1-,2+,3-,4?/m0/s1.
What are the key properties of (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid?
(3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid has a molecular weight of 250.18 g/mol, XLogP of -2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[difluoro(hydroxy)methyl]-3,4-dihydroxyoxolane-2-sulfonic acid is sourced from PubChem (CID 150048465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).