N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide

C8H15NO5 — CID 156616201

IUPACN-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5+,6+,7-,8+/m1/s1
InChIKeyXOCCAGJZGBCJME-MMQOHUQSSA-N
MW205.21 g/mol
LogP-2.05
Rot. Bonds1

About N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide

N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 156616201) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
PubChem CID156616201
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5+,6+,7-,8+/m1/s1
InChIKeyXOCCAGJZGBCJME-MMQOHUQSSA-N
XLogP-2.05
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
CID 59985924
CID 59985924
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 91846417
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
(2S,3S,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylate
CID 154586187
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 175428968
(2S,3R,4R,5R,6S)-5-acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
CID 91859184

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide (CID 156616201) is N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]1O.
What is the InChIKey of N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The InChIKey is XOCCAGJZGBCJME-MMQOHUQSSA-N. The full InChI is InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5+,6+,7-,8+/m1/s1.
What are the key properties of N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide has a molecular weight of 205.21 g/mol, XLogP of -2.05, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 156616201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).