N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide

C9H17NO5 — CID 101213894

IUPACN-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1C[C@H](NC(C)=O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H17NO5/c1-5(12)10-6-3-8(14-2)15-7(4-11)9(6)13/h6-9,11,13H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8-,9-/m0/s1
InChIKeyTYYMBFUYLCLHHD-KZVJFYERSA-N
MW219.24 g/mol
LogP-1.39
Rot. Bonds3

About N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide

N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide (PubChem CID 101213894) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
PubChem CID101213894
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1C[C@H](NC(C)=O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H17NO5/c1-5(12)10-6-3-8(14-2)15-7(4-11)9(6)13/h6-9,11,13H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8-,9-/m0/s1
InChIKeyTYYMBFUYLCLHHD-KZVJFYERSA-N
XLogP-1.39
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
[4-acetamido-2-(azidomethyl)-6-methoxyoxan-3-yl] acetate
CID 5203184
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide
CID 131883764
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The IUPAC name of N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide (CID 101213894) is N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide is CO[C@@H]1C[C@H](NC(C)=O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The InChIKey is TYYMBFUYLCLHHD-KZVJFYERSA-N. The full InChI is InChI=1S/C9H17NO5/c1-5(12)10-6-3-8(14-2)15-7(4-11)9(6)13/h6-9,11,13H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8-,9-/m0/s1.
What are the key properties of N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide has a molecular weight of 219.24 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide is sourced from PubChem (CID 101213894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).