2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide

C15H27NO6 — CID 138523299

IUPAC2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27NO6/c1-2-3-4-5-6-7-8-9-16-14(20)12(19)13-10(17)11(18)15(21)22-13/h10-13,17-19H,2-9H2,1H3,(H,16,20)/t10-,11+,12?,13+/m1/s1
InChIKeyOIXRMJMLFXWFKH-GADZMNMWSA-N
MW317.38 g/mol
LogP-0.14
Rot. Bonds10

About 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide

2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide (PubChem CID 138523299) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide
PubChem CID138523299
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27NO6/c1-2-3-4-5-6-7-8-9-16-14(20)12(19)13-10(17)11(18)15(21)22-13/h10-13,17-19H,2-9H2,1H3,(H,16,20)/t10-,11+,12?,13+/m1/s1
InChIKeyOIXRMJMLFXWFKH-GADZMNMWSA-N
XLogP-0.14
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 5-0.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide?
The IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide (CID 138523299) is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide?
The canonical SMILES for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide is CCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide?
The InChIKey is OIXRMJMLFXWFKH-GADZMNMWSA-N. The full InChI is InChI=1S/C15H27NO6/c1-2-3-4-5-6-7-8-9-16-14(20)12(19)13-10(17)11(18)15(21)22-13/h10-13,17-19H,2-9H2,1H3,(H,16,20)/t10-,11+,12?,13+/m1/s1.
What are the key properties of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide?
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide has a molecular weight of 317.38 g/mol, XLogP of -0.14, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide is sourced from PubChem (CID 138523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).