[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate

C8H15NO8S — CID 88533117

IUPAC[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
SMILESCC(=O)NC1C(O)OC(COS(=O)(=O)O)C[C@H]1O
InChIInChI=1S/C8H15NO8S/c1-4(10)9-7-6(11)2-5(17-8(7)12)3-16-18(13,14)15/h5-8,11-12H,2-3H2,1H3,(H,9,10)(H,13,14,15)/t5?,6-,7?,8?/m1/s1
InChIKeyATXNMODVUPOPKK-QQJWGCFSSA-N
MW285.27 g/mol
LogP-2.22
Rot. Bonds4

About [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate

[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate (PubChem CID 88533117) has the molecular formula C8H15NO8S and a molecular weight of 285.27 g/mol. Its IUPAC name is [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate.

Molecular Properties

Compound Name[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
PubChem CID88533117
Molecular FormulaC8H15NO8S
Molecular Weight285.27 g/mol
Exact Mass285.05
IUPAC Name[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
SMILESCC(=O)NC1C(O)OC(COS(=O)(=O)O)C[C@H]1O
InChIInChI=1S/C8H15NO8S/c1-4(10)9-7-6(11)2-5(17-8(7)12)3-16-18(13,14)15/h5-8,11-12H,2-3H2,1H3,(H,9,10)(H,13,14,15)/t5?,6-,7?,8?/m1/s1
InChIKeyATXNMODVUPOPKK-QQJWGCFSSA-N
XLogP-2.22
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
[5-(hexylamino)-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 59093023
[(4S)-5-acetamido-4-hydroxyoxan-2-yl]methyl hydrogen sulfate
CID 59011015
(5-amino-4,6-dihydroxyoxan-2-yl)methyl hydrogen sulfate
CID 59248842
[(2S)-4-hydroxy-2-methoxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid
CID 89349354
[(2R,3R,4S,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 154824113
N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146683
N-[(2R)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146689
[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 175973159
[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
CID 46185937
[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 91848878

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate?
The IUPAC name of [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CID 88533117) is [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate.
What is the SMILES notation for [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate?
The canonical SMILES for [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate is CC(=O)NC1C(O)OC(COS(=O)(=O)O)C[C@H]1O.
What is the InChIKey of [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate?
The InChIKey is ATXNMODVUPOPKK-QQJWGCFSSA-N. The full InChI is InChI=1S/C8H15NO8S/c1-4(10)9-7-6(11)2-5(17-8(7)12)3-16-18(13,14)15/h5-8,11-12H,2-3H2,1H3,(H,9,10)(H,13,14,15)/t5?,6-,7?,8?/m1/s1.
What are the key properties of [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate?
[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate has a molecular weight of 285.27 g/mol, XLogP of -2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate is sourced from PubChem (CID 88533117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).