N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide

C10H17NO6 — CID 102328170

IUPACN-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide
SMILESCO[C@H]1[C@H](OC)[C@@H](NC(C)=O)C(=O)O[C@@H]1CO
InChIInChI=1S/C10H17NO6/c1-5(13)11-7-9(16-3)8(15-2)6(4-12)17-10(7)14/h6-9,12H,4H2,1-3H3,(H,11,13)/t6-,7-,8-,9-/m1/s1
InChIKeyOMSLUPPKJBRZEU-FNCVBFRFSA-N
MW247.25 g/mol
LogP-1.56
Rot. Bonds4

About N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide (PubChem CID 102328170) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide
PubChem CID102328170
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC NameN-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide
SMILESCO[C@H]1[C@H](OC)[C@@H](NC(C)=O)C(=O)O[C@@H]1CO
InChIInChI=1S/C10H17NO6/c1-5(13)11-7-9(16-3)8(15-2)6(4-12)17-10(7)14/h6-9,12H,4H2,1-3H3,(H,11,13)/t6-,7-,8-,9-/m1/s1
InChIKeyOMSLUPPKJBRZEU-FNCVBFRFSA-N
XLogP-1.56
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
CID 23380361
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(2Z)-4,5-dihydroxy-2-hydroxyimino-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 6110046
N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 130460609
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
CID 42627356

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide (CID 102328170) is N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide is CO[C@H]1[C@H](OC)[C@@H](NC(C)=O)C(=O)O[C@@H]1CO.
What is the InChIKey of N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide?
The InChIKey is OMSLUPPKJBRZEU-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H17NO6/c1-5(13)11-7-9(16-3)8(15-2)6(4-12)17-10(7)14/h6-9,12H,4H2,1-3H3,(H,11,13)/t6-,7-,8-,9-/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide?
N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide has a molecular weight of 247.25 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide is sourced from PubChem (CID 102328170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).