[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone

C11H20N2O5 — CID 56632758

IUPAC[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1C[C@@H](O)[C@H](O)[C@@H](CO)O1)N1CCNCC1
InChIInChI=1S/C11H20N2O5/c14-6-9-10(16)7(15)5-8(18-9)11(17)13-3-1-12-2-4-13/h7-10,12,14-16H,1-6H2/t7-,8?,9-,10+/m1/s1
InChIKeyGWGBLTAIGXJILX-GQDPBHBBSA-N
MW260.29 g/mol
LogP-2.71
Rot. Bonds2

About [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone

[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone (PubChem CID 56632758) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone
PubChem CID56632758
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1C[C@@H](O)[C@H](O)[C@@H](CO)O1)N1CCNCC1
InChIInChI=1S/C11H20N2O5/c14-6-9-10(16)7(15)5-8(18-9)11(17)13-3-1-12-2-4-13/h7-10,12,14-16H,1-6H2/t7-,8?,9-,10+/m1/s1
InChIKeyGWGBLTAIGXJILX-GQDPBHBBSA-N
XLogP-2.71
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone (CID 56632758) is [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone is O=C(C1C[C@@H](O)[C@H](O)[C@@H](CO)O1)N1CCNCC1.
What is the InChIKey of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone?
The InChIKey is GWGBLTAIGXJILX-GQDPBHBBSA-N. The full InChI is InChI=1S/C11H20N2O5/c14-6-9-10(16)7(15)5-8(18-9)11(17)13-3-1-12-2-4-13/h7-10,12,14-16H,1-6H2/t7-,8?,9-,10+/m1/s1.
What are the key properties of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone?
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone has a molecular weight of 260.29 g/mol, XLogP of -2.71, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56632758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).