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

C8H16NO5+ — CID 155817620

IUPACN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
SMILESCC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.[H+]
InChIInChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/p+1/t5-,6+,7+,8+/m0/s1
InChIKeyVCYYRDKGHLOTQU-LXGUWJNJSA-O
MW206.22 g/mol
LogP-2.28
Rot. Bonds2

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

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron (PubChem CID 155817620) has the molecular formula C8H16NO5+ and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron.

Molecular Properties

Compound NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
PubChem CID155817620
Molecular FormulaC8H16NO5+
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
SMILESCC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.[H+]
InChIInChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/p+1/t5-,6+,7+,8+/m0/s1
InChIKeyVCYYRDKGHLOTQU-LXGUWJNJSA-O
XLogP-2.28
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
[(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
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
CID 163201287
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
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
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 166975430

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron?
The IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron (CID 155817620) is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron.
What is the SMILES notation for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron?
The canonical SMILES for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron is CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.[H+].
What is the InChIKey of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron?
The InChIKey is VCYYRDKGHLOTQU-LXGUWJNJSA-O. The full InChI is InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/p+1/t5-,6+,7+,8+/m0/s1.
What are the key properties of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron?
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron has a molecular weight of 206.22 g/mol, XLogP of -2.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron is sourced from PubChem (CID 155817620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).