4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide

C13H25NO7 — CID 126510691

IUPAC4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide
SMILESCC(CCC(N)=O)OCCO[C@H]1C[C@@H](O)C(O)C(CO)O1
InChIInChI=1S/C13H25NO7/c1-8(2-3-11(14)17)19-4-5-20-12-6-9(16)13(18)10(7-15)21-12/h8-10,12-13,15-16,18H,2-7H2,1H3,(H2,14,17)/t8?,9-,10?,12-,13?/m1/s1
InChIKeyCXLLMCGCWDFRGR-ZHPSYDNTSA-N
MW307.34 g/mol
LogP-1.50
Rot. Bonds9

About 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide

4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide (PubChem CID 126510691) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide.

Molecular Properties

Compound Name4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide
PubChem CID126510691
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide
SMILESCC(CCC(N)=O)OCCO[C@H]1C[C@@H](O)C(O)C(CO)O1
InChIInChI=1S/C13H25NO7/c1-8(2-3-11(14)17)19-4-5-20-12-6-9(16)13(18)10(7-15)21-12/h8-10,12-13,15-16,18H,2-7H2,1H3,(H2,14,17)/t8?,9-,10?,12-,13?/m1/s1
InChIKeyCXLLMCGCWDFRGR-ZHPSYDNTSA-N
XLogP-1.50
TPSA131.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
3-[(2R,6S)-4,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]oxybutanamide
CID 142588216
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
2-[carboxymethyl-[2-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]amino]acetic acid
CID 56931257
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
(3R,4R,5R)-5-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,7-trihydroxyheptan-2-one;ethane
CID 145109494

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide?
The IUPAC name of 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide (CID 126510691) is 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide.
What is the SMILES notation for 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide?
The canonical SMILES for 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide is CC(CCC(N)=O)OCCO[C@H]1C[C@@H](O)C(O)C(CO)O1.
What is the InChIKey of 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide?
The InChIKey is CXLLMCGCWDFRGR-ZHPSYDNTSA-N. The full InChI is InChI=1S/C13H25NO7/c1-8(2-3-11(14)17)19-4-5-20-12-6-9(16)13(18)10(7-15)21-12/h8-10,12-13,15-16,18H,2-7H2,1H3,(H2,14,17)/t8?,9-,10?,12-,13?/m1/s1.
What are the key properties of 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide?
4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide has a molecular weight of 307.34 g/mol, XLogP of -1.50, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,4R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]pentanamide is sourced from PubChem (CID 126510691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).