2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid

C10H16O6 — CID 149359899

IUPAC2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESCC(C)O[C@@H]1OC(CC(=O)O)C=C(O)C1O
InChIInChI=1S/C10H16O6/c1-5(2)15-10-9(14)7(11)3-6(16-10)4-8(12)13/h3,5-6,9-11,14H,4H2,1-2H3,(H,12,13)/t6?,9?,10-/m1/s1
InChIKeyYHRWCHVXEMZMOA-QKPUFMLISA-N
MW232.23 g/mol
LogP0.41
Rot. Bonds4

About 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid

2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid (PubChem CID 149359899) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid
PubChem CID149359899
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESCC(C)O[C@@H]1OC(CC(=O)O)C=C(O)C1O
InChIInChI=1S/C10H16O6/c1-5(2)15-10-9(14)7(11)3-6(16-10)4-8(12)13/h3,5-6,9-11,14H,4H2,1-2H3,(H,12,13)/t6?,9?,10-/m1/s1
InChIKeyYHRWCHVXEMZMOA-QKPUFMLISA-N
XLogP0.41
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The IUPAC name of 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid (CID 149359899) is 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The canonical SMILES for 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid is CC(C)O[C@@H]1OC(CC(=O)O)C=C(O)C1O.
What is the InChIKey of 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The InChIKey is YHRWCHVXEMZMOA-QKPUFMLISA-N. The full InChI is InChI=1S/C10H16O6/c1-5(2)15-10-9(14)7(11)3-6(16-10)4-8(12)13/h3,5-6,9-11,14H,4H2,1-2H3,(H,12,13)/t6?,9?,10-/m1/s1.
What are the key properties of 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid?
2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid has a molecular weight of 232.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid is sourced from PubChem (CID 149359899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).