N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide

C9H17NO6 — CID 70799397

IUPACN-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1CO
InChIInChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)16-6(3-12)8(14)9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13)/t5-,6?,7?,8-,9?/m0/s1
InChIKeyKHLYGXAIKOGIPV-OZJVENNHSA-N
MW235.24 g/mol
LogP-3.04
Rot. Bonds3

About N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 70799397) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID70799397
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1CO
InChIInChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)16-6(3-12)8(14)9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13)/t5-,6?,7?,8-,9?/m0/s1
InChIKeyKHLYGXAIKOGIPV-OZJVENNHSA-N
XLogP-3.04
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-3.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R,5R,6R)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 173295647
N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylpropyl)oxan-3-yl]acetamide
CID 148766556
N-[(2S,3R,4R,5R,6R)-2-(2,2-dimethylpropyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 169019001
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide (CID 70799397) is N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1CO.
What is the InChIKey of N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is KHLYGXAIKOGIPV-OZJVENNHSA-N. The full InChI is InChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)16-6(3-12)8(14)9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13)/t5-,6?,7?,8-,9?/m0/s1.
What are the key properties of N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -3.04, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 70799397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).