N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide

C14H27NO11 — CID 91858678

IUPACN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO11/c1-5(19)15-9-13(24)12(23)8(4-18)26-14(9)25-7(3-17)11(22)10(21)6(20)2-16/h6-14,16-18,20-24H,2-4H2,1H3,(H,15,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeySOYNOJZLKJHMJZ-ZTGOBPNGSA-N
MW385.37 g/mol
LogP-5.62
Rot. Bonds9

About N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 91858678) has the molecular formula C14H27NO11 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide
PubChem CID91858678
Molecular FormulaC14H27NO11
Molecular Weight385.37 g/mol
Exact Mass385.16
IUPAC NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO11/c1-5(19)15-9-13(24)12(23)8(4-18)26-14(9)25-7(3-17)11(22)10(21)6(20)2-16/h6-14,16-18,20-24H,2-4H2,1H3,(H,15,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeySOYNOJZLKJHMJZ-ZTGOBPNGSA-N
XLogP-5.62
TPSA209.40 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500385.37
LogP ≤ 5-5.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide (CID 91858678) is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide?
The InChIKey is SOYNOJZLKJHMJZ-ZTGOBPNGSA-N. The full InChI is InChI=1S/C14H27NO11/c1-5(19)15-9-13(24)12(23)8(4-18)26-14(9)25-7(3-17)11(22)10(21)6(20)2-16/h6-14,16-18,20-24H,2-4H2,1H3,(H,15,19)/t6-,7-,8-,9-,10-,11-,12-,13-,14-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 385.37 g/mol, XLogP of -5.62, 9 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 91858678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).