6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide

C16H31NO6 — CID 167670265

IUPAC6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide
SMILESCOCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C
InChIInChI=1S/C16H31NO6/c1-11-12(2)16(23-13(9-18)15(11)20)22-8-6-4-5-7-14(19)17-10-21-3/h11-13,15-16,18,20H,4-10H2,1-3H3,(H,17,19)/t11-,12?,13?,15-,16-/m1/s1
InChIKeyOAIXHPCVNMDTOM-GWROUVMCSA-N
MW333.43 g/mol
LogP0.63
Rot. Bonds10

About 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide

6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide (PubChem CID 167670265) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide.

Molecular Properties

Compound Name6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide
PubChem CID167670265
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Name6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide
SMILESCOCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C
InChIInChI=1S/C16H31NO6/c1-11-12(2)16(23-13(9-18)15(11)20)22-8-6-4-5-7-14(19)17-10-21-3/h11-13,15-16,18,20H,4-10H2,1-3H3,(H,17,19)/t11-,12?,13?,15-,16-/m1/s1
InChIKeyOAIXHPCVNMDTOM-GWROUVMCSA-N
XLogP0.63
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide with MolForge

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Related Compounds

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane
CID 158564821
N-butyl-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide
CID 121274349
methyl 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoate
CID 21020189
N-(2,2-dimethoxyethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 11783856
6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide
CID 121310105
4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-heptylbutanamide
CID 130196068
N-(2-aminoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 10664588
(9S)-9,13-bis[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-N-(3-methoxypropyl)-8-oxotridecanamide
CID 157057143
2,6-bis[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N-[6-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-1-[[6-(3-methoxypropylamino)-6-oxohexyl]amino]-1-oxohexan-2-yl]hexanamide
CID 165000939
6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-[6-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]hexanamide
CID 118944214
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-[3-[3-[2-[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]ethoxy]propanoylamino]propyl]pentanamide;15-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-propoxypentadecane-3,9-dione
CID 167593831
N,N'-bis[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexyl]-4-[10-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-oxodecyl]-4-[[5-(6-methoxyhexylamino)-5-oxopentanoyl]amino]heptanediamide;2,2-dimethylpropane
CID 162127781

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide?
The IUPAC name of 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide (CID 167670265) is 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide.
What is the SMILES notation for 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide?
The canonical SMILES for 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide is COCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C.
What is the InChIKey of 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide?
The InChIKey is OAIXHPCVNMDTOM-GWROUVMCSA-N. The full InChI is InChI=1S/C16H31NO6/c1-11-12(2)16(23-13(9-18)15(11)20)22-8-6-4-5-7-14(19)17-10-21-3/h11-13,15-16,18,20H,4-10H2,1-3H3,(H,17,19)/t11-,12?,13?,15-,16-/m1/s1.
What are the key properties of 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide?
6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide has a molecular weight of 333.43 g/mol, XLogP of 0.63, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-N-(methoxymethyl)hexanamide is sourced from PubChem (CID 167670265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).