N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide

C13H24N2O6 — CID 22214877

IUPACN-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(C)=O)[C@H](NC(C)=O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C13H24N2O6/c1-7(16)14-6-9-10(15-8(2)17)11(18-3)12(19-4)13(20-5)21-9/h9-13H,6H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+,11+,12-,13?/m1/s1
InChIKeyCVQBZLYYFJSZMZ-YMWOCUMHSA-N
MW304.34 g/mol
LogP-0.97
Rot. Bonds6

About N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide

N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide (PubChem CID 22214877) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
PubChem CID22214877
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC NameN-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(C)=O)[C@H](NC(C)=O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C13H24N2O6/c1-7(16)14-6-9-10(15-8(2)17)11(18-3)12(19-4)13(20-5)21-9/h9-13H,6H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+,11+,12-,13?/m1/s1
InChIKeyCVQBZLYYFJSZMZ-YMWOCUMHSA-N
XLogP-0.97
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
CID 7761458
N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide
CID 67799458
N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134
N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
CID 22216013
(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 568252
[(2R,3R,4R,5R,6R)-5-acetamido-6-acetyloxy-4-methoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 102239937
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 130460609
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
N-[(2S,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
CID 23380361

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide (CID 22214877) is N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide is COC1O[C@H](CNC(C)=O)[C@H](NC(C)=O)[C@H](OC)[C@H]1OC.
What is the InChIKey of N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide?
The InChIKey is CVQBZLYYFJSZMZ-YMWOCUMHSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-7(16)14-6-9-10(15-8(2)17)11(18-3)12(19-4)13(20-5)21-9/h9-13H,6H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+,11+,12-,13?/m1/s1.
What are the key properties of N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide?
N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide is sourced from PubChem (CID 22214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).