N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

C10H19NO7 — CID 156618959

IUPACN-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H19NO7/c1-4(13)11-8-5(14)2-7(16)18-10(8)9(17)6(15)3-12/h5-10,12,14-17H,2-3H2,1H3,(H,11,13)/t5-,6+,7-,8+,9+,10+/m0/s1
InChIKeyYITFKIXYAJHCIH-HDBWYCHPSA-N
MW265.26 g/mol
LogP-3.33
Rot. Bonds4

About N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide (PubChem CID 156618959) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
PubChem CID156618959
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC NameN-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H19NO7/c1-4(13)11-8-5(14)2-7(16)18-10(8)9(17)6(15)3-12/h5-10,12,14-17H,2-3H2,1H3,(H,11,13)/t5-,6+,7-,8+,9+,10+/m0/s1
InChIKeyYITFKIXYAJHCIH-HDBWYCHPSA-N
XLogP-3.33
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 5-3.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4R,5R,6R)-2,4-dihydroxy-2-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]-1,2λ5-oxaphosphinan-5-yl]acetamide
CID 23420489
bis((4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate);barium(2+)
CID 14074707
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;hydrate
CID 68765363
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;gold
CID 174845928
(5R,6S)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 59331135
3-acetamido-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 71122588
methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 13151896

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide (CID 156618959) is N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](O)C[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The InChIKey is YITFKIXYAJHCIH-HDBWYCHPSA-N. The full InChI is InChI=1S/C10H19NO7/c1-4(13)11-8-5(14)2-7(16)18-10(8)9(17)6(15)3-12/h5-10,12,14-17H,2-3H2,1H3,(H,11,13)/t5-,6+,7-,8+,9+,10+/m0/s1.
What are the key properties of N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide has a molecular weight of 265.26 g/mol, XLogP of -3.33, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide is sourced from PubChem (CID 156618959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).