N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H15NO6S2 — CID 123497316

IUPACN-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OSS)OC(CO)C(O)C1O
InChIInChI=1S/C8H15NO6S2/c1-3(11)9-5-7(13)6(12)4(2-10)14-8(5)15-17-16/h4-8,10,12-13,16H,2H2,1H3,(H,9,11)
InChIKeyIHVLDVFNHWLCJK-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.56
Rot. Bonds4

About N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 123497316) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID123497316
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC NameN-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OSS)OC(CO)C(O)C1O
InChIInChI=1S/C8H15NO6S2/c1-3(11)9-5-7(13)6(12)4(2-10)14-8(5)15-17-16/h4-8,10,12-13,16H,2H2,1H3,(H,9,11)
InChIKeyIHVLDVFNHWLCJK-UHFFFAOYSA-N
XLogP-1.56
TPSA108.25 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627
N-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659071
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7573802
tris[(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 155101872
N-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659073
[(2R,3R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 126749105
[(2S,3R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 170518359
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664

Frequently Asked Questions

What is the IUPAC name of N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 123497316) is N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(OSS)OC(CO)C(O)C1O.
What is the InChIKey of N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is IHVLDVFNHWLCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-3(11)9-5-7(13)6(12)4(2-10)14-8(5)15-17-16/h4-8,10,12-13,16H,2H2,1H3,(H,9,11).
What are the key properties of N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 285.34 g/mol, XLogP of -1.56, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(disulfanyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 123497316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).