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

C9H17NO6 — CID 91098008

IUPACN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](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-/m1/s1
InChIKeyKHLYGXAIKOGIPV-SYHAXYEDSA-N
MW235.24 g/mol
LogP-3.04
Rot. Bonds3

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

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91098008) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID91098008
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](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-/m1/s1
InChIKeyKHLYGXAIKOGIPV-SYHAXYEDSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide (CID 91098008) is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is KHLYGXAIKOGIPV-SYHAXYEDSA-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-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-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-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91098008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).