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

C12H22O6 — CID 71018443

IUPAC6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol
SMILESCC[C@@](C)(O)CCOC1OC(CO)C(O)=CC1O
InChIInChI=1S/C12H22O6/c1-3-12(2,16)4-5-17-11-9(15)6-8(14)10(7-13)18-11/h6,9-11,13-16H,3-5,7H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyCMWONHNWNJHMSO-XHUCQOSOSA-N
MW262.30 g/mol
LogP0.07
Rot. Bonds6

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

6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol (PubChem CID 71018443) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol
PubChem CID71018443
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol
SMILESCC[C@@](C)(O)CCOC1OC(CO)C(O)=CC1O
InChIInChI=1S/C12H22O6/c1-3-12(2,16)4-5-17-11-9(15)6-8(14)10(7-13)18-11/h6,9-11,13-16H,3-5,7H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyCMWONHNWNJHMSO-XHUCQOSOSA-N
XLogP0.07
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.07
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-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The IUPAC name of 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol (CID 71018443) is 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol is CC[C@@](C)(O)CCOC1OC(CO)C(O)=CC1O.
What is the InChIKey of 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
The InChIKey is CMWONHNWNJHMSO-XHUCQOSOSA-N. The full InChI is InChI=1S/C12H22O6/c1-3-12(2,16)4-5-17-11-9(15)6-8(14)10(7-13)18-11/h6,9-11,13-16H,3-5,7H2,1-2H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of 6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol?
6-(hydroxymethyl)-2-[(3R)-3-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol has a molecular weight of 262.30 g/mol, XLogP of 0.07, 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-hydroxy-3-methylpentoxy]-3,6-dihydro-2H-pyran-3,5-diol is sourced from PubChem (CID 71018443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).