[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

C10H17NO7 — CID 90659182

IUPAC[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C10H17NO7/c1-4(13)11-7-8(15)9(17-5(2)14)6(3-12)18-10(7)16/h6-10,12,15-16H,3H2,1-2H3,(H,11,13)/t6-,7+,8-,9-,10+/m1/s1
InChIKeyIUMAERNNNSJETG-ZOZBQHSOSA-N
MW263.25 g/mol
LogP-2.51
Rot. Bonds3

About [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate (PubChem CID 90659182) has the molecular formula C10H17NO7 and a molecular weight of 263.25 g/mol. Its IUPAC name is [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
PubChem CID90659182
Molecular FormulaC10H17NO7
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C10H17NO7/c1-4(13)11-7-8(15)9(17-5(2)14)6(3-12)18-10(7)16/h6-10,12,15-16H,3H2,1-2H3,(H,11,13)/t6-,7+,8-,9-,10+/m1/s1
InChIKeyIUMAERNNNSJETG-ZOZBQHSOSA-N
XLogP-2.51
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate (CID 90659182) is [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate is CC(=O)N[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@H](CO)O[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?
The InChIKey is IUMAERNNNSJETG-ZOZBQHSOSA-N. The full InChI is InChI=1S/C10H17NO7/c1-4(13)11-7-8(15)9(17-5(2)14)6(3-12)18-10(7)16/h6-10,12,15-16H,3H2,1-2H3,(H,11,13)/t6-,7+,8-,9-,10+/m1/s1.
What are the key properties of [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?
[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate has a molecular weight of 263.25 g/mol, XLogP of -2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 90659182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).