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

C9H17NO6 — CID 71079558

IUPACN-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)OC(CO)C(O)C1CO
InChIInChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)8(14)6(3-12)16-9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13)
InChIKeyPNZFFUSTKXOKGJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-2.83
Rot. Bonds3

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

N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 71079558) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID71079558
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)OC(CO)C(O)C1CO
InChIInChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)8(14)6(3-12)16-9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13)
InChIKeyPNZFFUSTKXOKGJ-UHFFFAOYSA-N
XLogP-2.83
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 ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
N-[(2R,3R,4R,5S,6R)-4-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 154572806
phosphoric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 135349447
sulfuric acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138697730

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide (CID 71079558) is N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)OC(CO)C(O)C1CO.
What is the InChIKey of N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is PNZFFUSTKXOKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-4(13)10-7-5(2-11)8(14)6(3-12)16-9(7)15/h5-9,11-12,14-15H,2-3H2,1H3,(H,10,13).
What are the key properties of N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide?
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -2.83, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 71079558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).