N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide

C13H23NO6 — CID 15043142

IUPACN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide
SMILESC=CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H23NO6/c1-3-4-5-6-19-13-10(14-8(2)16)12(18)11(17)9(7-15)20-13/h3,9-13,15,17-18H,1,4-7H2,2H3,(H,14,16)/t9-,10-,11-,12-,13-/m1/s1
InChIKeyUMVRPAGHMFPQMZ-SYLRKERUSA-N
MW289.33 g/mol
LogP-1.09
Rot. Bonds7

About N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide (PubChem CID 15043142) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide
PubChem CID15043142
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide
SMILESC=CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H23NO6/c1-3-4-5-6-19-13-10(14-8(2)16)12(18)11(17)9(7-15)20-13/h3,9-13,15,17-18H,1,4-7H2,2H3,(H,14,16)/t9-,10-,11-,12-,13-/m1/s1
InChIKeyUMVRPAGHMFPQMZ-SYLRKERUSA-N
XLogP-1.09
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide (CID 15043142) is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide is C=CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide?
The InChIKey is UMVRPAGHMFPQMZ-SYLRKERUSA-N. The full InChI is InChI=1S/C13H23NO6/c1-3-4-5-6-19-13-10(14-8(2)16)12(18)11(17)9(7-15)20-13/h3,9-13,15,17-18H,1,4-7H2,2H3,(H,14,16)/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide has a molecular weight of 289.33 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-pent-4-enoxyoxan-3-yl]acetamide is sourced from PubChem (CID 15043142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).