7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one

C7H11NO5 — CID 175827998

IUPAC7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
SMILESO=C1COC2OCC(O)C(O)C2N1
InChIInChI=1S/C7H11NO5/c9-3-1-12-7-5(6(3)11)8-4(10)2-13-7/h3,5-7,9,11H,1-2H2,(H,8,10)
InChIKeyQNYHGROOVROQHF-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.42
Rot. Bonds

About 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one

7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one (PubChem CID 175827998) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
PubChem CID175827998
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
SMILESO=C1COC2OCC(O)C(O)C2N1
InChIInChI=1S/C7H11NO5/c9-3-1-12-7-5(6(3)11)8-4(10)2-13-7/h3,5-7,9,11H,1-2H2,(H,8,10)
InChIKeyQNYHGROOVROQHF-UHFFFAOYSA-N
XLogP-2.42
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one with MolForge

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Related Compounds

(3aS,6R,7S,7aR)-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydropyrano[2,3-d][1,3]oxazol-2-one
CID 130804912
5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione
CID 159015800
(3R,4R)-2-aminooxolane-3,4-diol
CID 139898598
(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
CID 178051967
3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 131876492
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
CID 158449841
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
4-oxo-1,3-oxazolidine-2-carbaldehyde
CID 54534694
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one (CID 175827998) is 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one is O=C1COC2OCC(O)C(O)C2N1.
What is the InChIKey of 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one?
The InChIKey is QNYHGROOVROQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-3-1-12-7-5(6(3)11)8-4(10)2-13-7/h3,5-7,9,11H,1-2H2,(H,8,10).
What are the key properties of 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one?
7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one has a molecular weight of 189.17 g/mol, XLogP of -2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 175827998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).