N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide

C10H19NO6 — CID 4199030

IUPACN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
SMILESCCCC(=O)NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)
InChIKeyXOHMAPSXUCVOKP-UHFFFAOYSA-N
MW249.26 g/mol
LogP-2.30
Rot. Bonds4

About N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide

N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide (PubChem CID 4199030) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide.

Molecular Properties

Compound NameN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
PubChem CID4199030
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC NameN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
SMILESCCCC(=O)NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)
InChIKeyXOHMAPSXUCVOKP-UHFFFAOYSA-N
XLogP-2.30
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The IUPAC name of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide (CID 4199030) is N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide.
What is the SMILES notation for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The canonical SMILES for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide is CCCC(=O)NC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The InChIKey is XOHMAPSXUCVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13).
What are the key properties of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide has a molecular weight of 249.26 g/mol, XLogP of -2.30, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide is sourced from PubChem (CID 4199030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).