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

C16H31NO6 — CID 134129888

IUPACN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(19)17-13-15(21)14(20)11(10-18)23-16(13)22/h11,13-16,18,20-22H,2-10H2,1H3,(H,17,19)/t11-,13-,14-,15-,16-/m1/s1
InChIKeyQIBODNRCTGRLBL-JPIRQXTESA-N
MW333.43 g/mol
LogP0.04
Rot. Bonds10

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

N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide (PubChem CID 134129888) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide
PubChem CID134129888
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC NameN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(19)17-13-15(21)14(20)11(10-18)23-16(13)22/h11,13-16,18,20-22H,2-10H2,1H3,(H,17,19)/t11-,13-,14-,15-,16-/m1/s1
InChIKeyQIBODNRCTGRLBL-JPIRQXTESA-N
XLogP0.04
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide (CID 134129888) is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide is CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide?
The InChIKey is QIBODNRCTGRLBL-JPIRQXTESA-N. The full InChI is InChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(19)17-13-15(21)14(20)11(10-18)23-16(13)22/h11,13-16,18,20-22H,2-10H2,1H3,(H,17,19)/t11-,13-,14-,15-,16-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide?
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide has a molecular weight of 333.43 g/mol, XLogP of 0.04, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]decanamide is sourced from PubChem (CID 134129888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).