[(2R)-4-hydroxyoxan-2-yl]methyl sulfate

C6H11O6S- — CID 59456784

IUPAC[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
SMILESO=S(=O)([O-])OC[C@H]1CC(O)CCO1
InChIInChI=1S/C6H12O6S/c7-5-1-2-11-6(3-5)4-12-13(8,9)10/h5-7H,1-4H2,(H,8,9,10)/p-1/t5?,6-/m1/s1
InChIKeySLSFHHOTLLSTON-PRJDIBJQSA-M
MW211.21 g/mol
LogP-1.00
Rot. Bonds3

About [(2R)-4-hydroxyoxan-2-yl]methyl sulfate

[(2R)-4-hydroxyoxan-2-yl]methyl sulfate (PubChem CID 59456784) has the molecular formula C6H11O6S- and a molecular weight of 211.21 g/mol. Its IUPAC name is [(2R)-4-hydroxyoxan-2-yl]methyl sulfate.

Molecular Properties

Compound Name[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
PubChem CID59456784
Molecular FormulaC6H11O6S-
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
SMILESO=S(=O)([O-])OC[C@H]1CC(O)CCO1
InChIInChI=1S/C6H12O6S/c7-5-1-2-11-6(3-5)4-12-13(8,9)10/h5-7H,1-4H2,(H,8,9,10)/p-1/t5?,6-/m1/s1
InChIKeySLSFHHOTLLSTON-PRJDIBJQSA-M
XLogP-1.00
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-(oxidosulfonimidoyl)oxy-2-(sulfonatooxymethyl)oxane
CID 59672096
2-(2-hydroxyethyl)oxan-4-ol
CID 123437591
[(4S)-4-methoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
CID 59010995
butane;2-ethyloxan-4-ol
CID 156818442
disodium;[5-(sulfoamino)-2-(sulfonatooxymethyl)oxan-4-yl] sulfate
CID 140659139
2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol
CID 142423667
trisodium;[5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-4-yl] sulfate
CID 140603537
2-(3,3,3-trifluoropropyl)oxan-4-ol
CID 123196737
[(4S,6S)-6-methyl-4,5-disulfonatooxyoxan-2-yl]methyl sulfate
CID 59920816
[(4R,6R)-6-methyl-4,5-disulfonatooxyoxan-2-yl]methyl sulfate
CID 90862674
methanol;2-(2-sulfanylpropyl)oxan-4-ol
CID 145297955
carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate
CID 162136782

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxyoxan-2-yl]methyl sulfate?
The IUPAC name of [(2R)-4-hydroxyoxan-2-yl]methyl sulfate (CID 59456784) is [(2R)-4-hydroxyoxan-2-yl]methyl sulfate.
What is the SMILES notation for [(2R)-4-hydroxyoxan-2-yl]methyl sulfate?
The canonical SMILES for [(2R)-4-hydroxyoxan-2-yl]methyl sulfate is O=S(=O)([O-])OC[C@H]1CC(O)CCO1.
What is the InChIKey of [(2R)-4-hydroxyoxan-2-yl]methyl sulfate?
The InChIKey is SLSFHHOTLLSTON-PRJDIBJQSA-M. The full InChI is InChI=1S/C6H12O6S/c7-5-1-2-11-6(3-5)4-12-13(8,9)10/h5-7H,1-4H2,(H,8,9,10)/p-1/t5?,6-/m1/s1.
What are the key properties of [(2R)-4-hydroxyoxan-2-yl]methyl sulfate?
[(2R)-4-hydroxyoxan-2-yl]methyl sulfate has a molecular weight of 211.21 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxyoxan-2-yl]methyl sulfate is sourced from PubChem (CID 59456784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).