(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one

C17H18O6 — CID 154572705

IUPAC(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1[C@@H](O)[C@H](O)[C@@H](CO)O2
InChIInChI=1S/C17H18O6/c18-9-13-15(20)16(21)14-12(19)8-11(22-17(14)23-13)7-6-10-4-2-1-3-5-10/h1-5,8,13,15-16,18,20-21H,6-7,9H2/t13-,15-,16-/m1/s1
InChIKeyFMILQAVHDCGYRA-FVQBIDKESA-N
MW318.32 g/mol
LogP0.57
Rot. Bonds4

About (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one

(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one (PubChem CID 154572705) has the molecular formula C17H18O6 and a molecular weight of 318.32 g/mol. Its IUPAC name is (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one.

Molecular Properties

Compound Name(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one
PubChem CID154572705
Molecular FormulaC17H18O6
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1[C@@H](O)[C@H](O)[C@@H](CO)O2
InChIInChI=1S/C17H18O6/c18-9-13-15(20)16(21)14-12(19)8-11(22-17(14)23-13)7-6-10-4-2-1-3-5-10/h1-5,8,13,15-16,18,20-21H,6-7,9H2/t13-,15-,16-/m1/s1
InChIKeyFMILQAVHDCGYRA-FVQBIDKESA-N
XLogP0.57
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one with MolForge

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Launch Full Analysis

Related Compounds

5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
CID 163002401
(3S,10S,11S,12S)-10,11-dihydroxy-7,18-bis(2-phenylethyl)-2,8,13,17-tetraoxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4(9),6,15,18,21-hexaene-5,20-dione
CID 162894270
[(5S,6S,7R,8S)-8-acetyloxy-6,7-dihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl] acetate
CID 23258668
7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one
CID 5320527
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
CID 102530191
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
CID 174151377
4-hydroxy-6-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyran-2-one
CID 70071089
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one
CID 77479102
(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-one
CID 123536630
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one?
The IUPAC name of (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one (CID 154572705) is (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one.
What is the SMILES notation for (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one?
The canonical SMILES for (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one is O=c1cc(CCc2ccccc2)oc2c1[C@@H](O)[C@H](O)[C@@H](CO)O2.
What is the InChIKey of (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one?
The InChIKey is FMILQAVHDCGYRA-FVQBIDKESA-N. The full InChI is InChI=1S/C17H18O6/c18-9-13-15(20)16(21)14-12(19)8-11(22-17(14)23-13)7-6-10-4-2-1-3-5-10/h1-5,8,13,15-16,18,20-21H,6-7,9H2/t13-,15-,16-/m1/s1.
What are the key properties of (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one?
(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one has a molecular weight of 318.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one is sourced from PubChem (CID 154572705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).