(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid

C11H19NO8 — CID 5288985

IUPAC(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid
SMILESCC(=O)N[C@H](C(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1
InChIKeyIZVFSUJQAOHESA-QCNRFFRDSA-N
MW293.27 g/mol
LogP-3.00
Rot. Bonds9

About (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid

(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid (PubChem CID 5288985) has the molecular formula C11H19NO8 and a molecular weight of 293.27 g/mol. Its IUPAC name is (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid.

Molecular Properties

Compound Name(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid
PubChem CID5288985
Molecular FormulaC11H19NO8
Molecular Weight293.27 g/mol
Exact Mass293.11
IUPAC Name(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid
SMILESCC(=O)N[C@H](C(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1
InChIKeyIZVFSUJQAOHESA-QCNRFFRDSA-N
XLogP-3.00
TPSA164.39 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.27
LogP ≤ 5-3.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid?
The IUPAC name of (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid (CID 5288985) is (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid.
What is the SMILES notation for (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid?
The canonical SMILES for (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid is CC(=O)N[C@H](C(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid?
The InChIKey is IZVFSUJQAOHESA-QCNRFFRDSA-N. The full InChI is InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1.
What are the key properties of (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid?
(5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid has a molecular weight of 293.27 g/mol, XLogP of -3.00, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxononanoic acid is sourced from PubChem (CID 5288985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).