5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol

C17H18O6 — CID 142590210

IUPAC5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol
SMILESOC1COC2C(O)C(O)C(Oc3cccc4ccccc34)OC12
InChIInChI=1S/C17H18O6/c18-11-8-21-16-13(19)14(20)17(23-15(11)16)22-12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13-20H,8H2
InChIKeyGUNDYGNMZBOGPV-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.43
Rot. Bonds2

About 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol

5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol (PubChem CID 142590210) has the molecular formula C17H18O6 and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol.

Molecular Properties

Compound Name5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol
PubChem CID142590210
Molecular FormulaC17H18O6
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol
SMILESOC1COC2C(O)C(O)C(Oc3cccc4ccccc34)OC12
InChIInChI=1S/C17H18O6/c18-11-8-21-16-13(19)14(20)17(23-15(11)16)22-12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13-20H,8H2
InChIKeyGUNDYGNMZBOGPV-UHFFFAOYSA-N
XLogP0.43
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol with MolForge

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Related Compounds

2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
sodium 3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylate
CID 53398703
(2R,3S,4S,5R)-2,5-di(anthracen-1-yloxy)oxane-3,4-diol
CID 91407822
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
[(2R,3S,4S,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxan-4-yl] acetate
CID 124744758
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,3R,4S,5R,6R)-3-anthracen-1-yloxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87681257
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 758005
(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
CID 7078165
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-naphthalen-1-yloxyoxan-2-yl] hydrogen sulfate
CID 5271709
4-naphthalen-1-yloxypyrrolidin-3-ol
CID 13192217
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-pyren-1-yloxyoxane-3,4,5-triol
CID 123804366

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol?
The IUPAC name of 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol (CID 142590210) is 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol.
What is the SMILES notation for 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol?
The canonical SMILES for 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol is OC1COC2C(O)C(O)C(Oc3cccc4ccccc34)OC12.
What is the InChIKey of 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol?
The InChIKey is GUNDYGNMZBOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c18-11-8-21-16-13(19)14(20)17(23-15(11)16)22-12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13-20H,8H2.
What are the key properties of 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol?
5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol has a molecular weight of 318.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol is sourced from PubChem (CID 142590210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).