N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane

C10H21NO6 — CID 155732259

IUPACN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
SMILESCC(=O)N[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.COC
InChIInChI=1S/C8H15NO5.C2H6O/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12;1-3-2/h5-8,10,12-13H,2-3H2,1H3,(H,9,11);1-2H3/t5-,6+,7+,8-;/m0./s1
InChIKeyKZRDTLKSTIBMFI-SZPCUAKFSA-N
MW251.28 g/mol
LogP-2.13
Rot. Bonds2

About N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane (PubChem CID 155732259) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane.

Molecular Properties

Compound NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
PubChem CID155732259
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
SMILESCC(=O)N[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.COC
InChIInChI=1S/C8H15NO5.C2H6O/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12;1-3-2/h5-8,10,12-13H,2-3H2,1H3,(H,9,11);1-2H3/t5-,6+,7+,8-;/m0./s1
InChIKeyKZRDTLKSTIBMFI-SZPCUAKFSA-N
XLogP-2.13
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
[(3R,4R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate
CID 58596071
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67767161
N-[(3S,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 5288292
N-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 146475620
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 166975430
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
CID 163201287
N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130314740
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane?
The IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane (CID 155732259) is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane.
What is the SMILES notation for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane?
The canonical SMILES for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane is CC(=O)N[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.COC.
What is the InChIKey of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane?
The InChIKey is KZRDTLKSTIBMFI-SZPCUAKFSA-N. The full InChI is InChI=1S/C8H15NO5.C2H6O/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12;1-3-2/h5-8,10,12-13H,2-3H2,1H3,(H,9,11);1-2H3/t5-,6+,7+,8-;/m0./s1.
What are the key properties of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane?
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane has a molecular weight of 251.28 g/mol, XLogP of -2.13, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane is sourced from PubChem (CID 155732259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).