(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one

C8H13NO5 — CID 143936276

IUPAC(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1N[C@@H]2CC(O)[C@H](O)C(CO)(C2)O1
InChIInChI=1S/C8H13NO5/c10-3-8-2-4(9-7(13)14-8)1-5(11)6(8)12/h4-6,10-12H,1-3H2,(H,9,13)/t4-,5?,6+,8?/m1/s1
InChIKeyWHWLQUSDONWICZ-YSSBHVKUSA-N
MW203.19 g/mol
LogP-1.66
Rot. Bonds1

About (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one

(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one (PubChem CID 143936276) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
PubChem CID143936276
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1N[C@@H]2CC(O)[C@H](O)C(CO)(C2)O1
InChIInChI=1S/C8H13NO5/c10-3-8-2-4(9-7(13)14-8)1-5(11)6(8)12/h4-6,10-12H,1-3H2,(H,9,13)/t4-,5?,6+,8?/m1/s1
InChIKeyWHWLQUSDONWICZ-YSSBHVKUSA-N
XLogP-1.66
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one (CID 143936276) is (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one is O=C1N[C@@H]2CC(O)[C@H](O)C(CO)(C2)O1.
What is the InChIKey of (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is WHWLQUSDONWICZ-YSSBHVKUSA-N. The full InChI is InChI=1S/C8H13NO5/c10-3-8-2-4(9-7(13)14-8)1-5(11)6(8)12/h4-6,10-12H,1-3H2,(H,9,13)/t4-,5?,6+,8?/m1/s1.
What are the key properties of (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one?
(5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 203.19 g/mol, XLogP of -1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-7,8-dihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 143936276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).