6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one

C7H11NO6 — CID 3429273

IUPAC6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one
SMILESO=C1NC2C(O1)OC(CO)C(O)C2O
InChIInChI=1S/C7H11NO6/c9-1-2-4(10)5(11)3-6(13-2)14-7(12)8-3/h2-6,9-11H,1H2,(H,8,12)
InChIKeyWTSGZAWZHDZUPT-UHFFFAOYSA-N
MW205.17 g/mol
LogP-2.47
Rot. Bonds1

About 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one

6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one (PubChem CID 3429273) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one
PubChem CID3429273
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one
SMILESO=C1NC2C(O1)OC(CO)C(O)C2O
InChIInChI=1S/C7H11NO6/c9-1-2-4(10)5(11)3-6(13-2)14-7(12)8-3/h2-6,9-11H,1H2,(H,8,12)
InChIKeyWTSGZAWZHDZUPT-UHFFFAOYSA-N
XLogP-2.47
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one with MolForge

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Related Compounds

(3R,4aR,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-3-methyl-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 160549941
(3aS,4R,7S)-4,7-dihydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 89468037
(3aR,4R,6R,7R,7aR)-4,7-dihydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 166683873
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2-[(3S,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-2-oxo-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-3-yl]-N-(4-aminobutyl)acetamide
CID 169018959
(1S,4R)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 129027244
(3aS,7aS)-5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-6,7-diol
CID 166975574
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one?
The IUPAC name of 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one (CID 3429273) is 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one?
The canonical SMILES for 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one is O=C1NC2C(O1)OC(CO)C(O)C2O.
What is the InChIKey of 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one?
The InChIKey is WTSGZAWZHDZUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c9-1-2-4(10)5(11)3-6(13-2)14-7(12)8-3/h2-6,9-11H,1H2,(H,8,12).
What are the key properties of 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one?
6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one has a molecular weight of 205.17 g/mol, XLogP of -2.47, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 3429273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).