N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide

C28H50N2O10 — CID 123738140

IUPACN-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
SMILESCCC(C)(CC)OC1C(CO)OC(OC2C(=O)C(NC(C)=O)C(C(C)(CC)CC)OC2CO)C(NC(C)=O)C1O
InChIInChI=1S/C28H50N2O10/c1-9-27(7,10-2)25-19(29-15(5)33)21(35)23(17(13-31)37-25)39-26-20(30-16(6)34)22(36)24(18(14-32)38-26)40-28(8,11-3)12-4/h17-20,22-26,31-32,36H,9-14H2,1-8H3,(H,29,33)(H,30,34)
InChIKeyXIOHEYCZALSAFF-UHFFFAOYSA-N
MW574.71 g/mol
LogP0.58
Rot. Bonds13

About N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide

N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide (PubChem CID 123738140) has the molecular formula C28H50N2O10 and a molecular weight of 574.71 g/mol. Its IUPAC name is N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
PubChem CID123738140
Molecular FormulaC28H50N2O10
Molecular Weight574.71 g/mol
Exact Mass574.35
IUPAC NameN-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
SMILESCCC(C)(CC)OC1C(CO)OC(OC2C(=O)C(NC(C)=O)C(C(C)(CC)CC)OC2CO)C(NC(C)=O)C1O
InChIInChI=1S/C28H50N2O10/c1-9-27(7,10-2)25-19(29-15(5)33)21(35)23(17(13-31)37-25)39-26-20(30-16(6)34)22(36)24(18(14-32)38-26)40-28(8,11-3)12-4/h17-20,22-26,31-32,36H,9-14H2,1-8H3,(H,29,33)(H,30,34)
InChIKeyXIOHEYCZALSAFF-UHFFFAOYSA-N
XLogP0.58
TPSA172.88 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.71
LogP ≤ 50.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide with MolForge

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Related Compounds

N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 174250597
N-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5R,6S)-3-acetamido-5-[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 163040497
N-[(2R,3S,5S)-5-[(2S,3S,5S)-3-acetamido-5-[(2S,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91972062
N-[(2S,3S,4S,5S,6S)-5-[(2R,3S,4S,5S,6S)-3-acetamido-5-[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 46936918
N-[(3S,4R,5S,6S)-5-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 118719307
N-[(3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91860553
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4R,5S,6R)-3-acetamido-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-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91855504
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 156615372
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide
CID 14131348
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 91861902
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91859666
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The IUPAC name of N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide (CID 123738140) is N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide is CCC(C)(CC)OC1C(CO)OC(OC2C(=O)C(NC(C)=O)C(C(C)(CC)CC)OC2CO)C(NC(C)=O)C1O.
What is the InChIKey of N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The InChIKey is XIOHEYCZALSAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2O10/c1-9-27(7,10-2)25-19(29-15(5)33)21(35)23(17(13-31)37-25)39-26-20(30-16(6)34)22(36)24(18(14-32)38-26)40-28(8,11-3)12-4/h17-20,22-26,31-32,36H,9-14H2,1-8H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide has a molecular weight of 574.71 g/mol, XLogP of 0.58, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide is sourced from PubChem (CID 123738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).