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

C9H17NO5 — CID 118494513

IUPACN-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
SMILESCOC1OC(CO)CC(O)C1NC(C)=O
InChIInChI=1S/C9H17NO5/c1-5(12)10-8-7(13)3-6(4-11)15-9(8)14-2/h6-9,11,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyBKISDXCOTDQJJY-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.39
Rot. Bonds3

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

N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (PubChem CID 118494513) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
PubChem CID118494513
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
SMILESCOC1OC(CO)CC(O)C1NC(C)=O
InChIInChI=1S/C9H17NO5/c1-5(12)10-8-7(13)3-6(4-11)15-9(8)14-2/h6-9,11,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyBKISDXCOTDQJJY-UHFFFAOYSA-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

N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67680767
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
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
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 130460609
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 3660162
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519
N-[(2S,3R,4R,5S,6S)-6-(chloromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide
CID 118225455

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (CID 118494513) is N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is COC1OC(CO)CC(O)C1NC(C)=O.
What is the InChIKey of N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
The InChIKey is BKISDXCOTDQJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-5(12)10-8-7(13)3-6(4-11)15-9(8)14-2/h6-9,11,13H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide?
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-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-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 118494513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).