6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol

C11H20O6 — CID 71018507

IUPAC6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol
SMILESCC[C@@H](O)CCOC1OC(CO)C(O)=CC1O
InChIInChI=1S/C11H20O6/c1-2-7(13)3-4-16-11-9(15)5-8(14)10(6-12)17-11/h5,7,9-15H,2-4,6H2,1H3/t7-,9?,10?,11?/m1/s1
InChIKeyDXTRDHOKYSKDJS-PZAWXBCYSA-N
MW248.27 g/mol
LogP-0.32
Rot. Bonds6

About 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol

6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol (PubChem CID 71018507) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol
PubChem CID71018507
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol
SMILESCC[C@@H](O)CCOC1OC(CO)C(O)=CC1O
InChIInChI=1S/C11H20O6/c1-2-7(13)3-4-16-11-9(15)5-8(14)10(6-12)17-11/h5,7,9-15H,2-4,6H2,1H3/t7-,9?,10?,11?/m1/s1
InChIKeyDXTRDHOKYSKDJS-PZAWXBCYSA-N
XLogP-0.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The IUPAC name of 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol (CID 71018507) is 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol is CC[C@@H](O)CCOC1OC(CO)C(O)=CC1O.
What is the InChIKey of 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The InChIKey is DXTRDHOKYSKDJS-PZAWXBCYSA-N. The full InChI is InChI=1S/C11H20O6/c1-2-7(13)3-4-16-11-9(15)5-8(14)10(6-12)17-11/h5,7,9-15H,2-4,6H2,1H3/t7-,9?,10?,11?/m1/s1.
What are the key properties of 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol has a molecular weight of 248.27 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-[(3R)-3-hydroxypentoxy]-3,6-dihydro-2H-pyran-3,5-diol is sourced from PubChem (CID 71018507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).