5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

C11H21NO6 — CID 172627567

IUPAC5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
SMILESNC(=O)CCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H21NO6/c12-9(15)3-1-2-4-17-10-5-7(14)11(16)8(6-13)18-10/h7-8,10-11,13-14,16H,1-6H2,(H2,12,15)
InChIKeyYOLWTEXZUNAEDU-UHFFFAOYSA-N
MW263.29 g/mol
LogP-1.51
Rot. Bonds7

About 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (PubChem CID 172627567) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

Molecular Properties

Compound Name5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
PubChem CID172627567
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
SMILESNC(=O)CCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H21NO6/c12-9(15)3-1-2-4-17-10-5-7(14)11(16)8(6-13)18-10/h7-8,10-11,13-14,16H,1-6H2,(H2,12,15)
InChIKeyYOLWTEXZUNAEDU-UHFFFAOYSA-N
XLogP-1.51
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide
CID 126510691
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
2-[carboxymethyl-[2-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]amino]acetic acid
CID 56931257
methyl 9-[(2S,3R,4S,5S,6R)-3-[(2R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate
CID 70131310
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The IUPAC name of 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (CID 172627567) is 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.
What is the SMILES notation for 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The canonical SMILES for 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is NC(=O)CCCCOC1CC(O)C(O)C(CO)O1.
What is the InChIKey of 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The InChIKey is YOLWTEXZUNAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c12-9(15)3-1-2-4-17-10-5-7(14)11(16)8(6-13)18-10/h7-8,10-11,13-14,16H,1-6H2,(H2,12,15).
What are the key properties of 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide has a molecular weight of 263.29 g/mol, XLogP of -1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is sourced from PubChem (CID 172627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).