(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid

C11H18O6 — CID 144710909

IUPAC(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid
SMILESCC1O[C@@H](O[C@H](C)CCC(=O)O)C(O)=C[C@H]1O
InChIInChI=1S/C11H18O6/c1-6(3-4-10(14)15)16-11-9(13)5-8(12)7(2)17-11/h5-8,11-13H,3-4H2,1-2H3,(H,14,15)/t6-,7?,8-,11-/m1/s1
InChIKeyRDULVHWHDQCGHS-UEQRYOQDSA-N
MW246.26 g/mol
LogP0.80
Rot. Bonds5

About (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid

(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid (PubChem CID 144710909) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid.

Molecular Properties

Compound Name(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid
PubChem CID144710909
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid
SMILESCC1O[C@@H](O[C@H](C)CCC(=O)O)C(O)=C[C@H]1O
InChIInChI=1S/C11H18O6/c1-6(3-4-10(14)15)16-11-9(13)5-8(12)7(2)17-11/h5-8,11-13H,3-4H2,1-2H3,(H,14,15)/t6-,7?,8-,11-/m1/s1
InChIKeyRDULVHWHDQCGHS-UEQRYOQDSA-N
XLogP0.80
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid?
The IUPAC name of (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid (CID 144710909) is (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid.
What is the SMILES notation for (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid?
The canonical SMILES for (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid is CC1O[C@@H](O[C@H](C)CCC(=O)O)C(O)=C[C@H]1O.
What is the InChIKey of (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid?
The InChIKey is RDULVHWHDQCGHS-UEQRYOQDSA-N. The full InChI is InChI=1S/C11H18O6/c1-6(3-4-10(14)15)16-11-9(13)5-8(12)7(2)17-11/h5-8,11-13H,3-4H2,1-2H3,(H,14,15)/t6-,7?,8-,11-/m1/s1.
What are the key properties of (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid?
(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid is sourced from PubChem (CID 144710909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).