(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

C6H9BrO3 — CID 44543454

IUPAC(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESC[C@@H]1OC=C(Br)[C@H](O)[C@H]1O
InChIInChI=1S/C6H9BrO3/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5-6,8-9H,1H3/t3-,5-,6-/m0/s1
InChIKeyLQQCFPGOSJOREX-FUTKDDECSA-N
MW209.04 g/mol
LogP0.36
Rot. Bonds

About (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 44543454) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID44543454
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESC[C@@H]1OC=C(Br)[C@H](O)[C@H]1O
InChIInChI=1S/C6H9BrO3/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5-6,8-9H,1H3/t3-,5-,6-/m0/s1
InChIKeyLQQCFPGOSJOREX-FUTKDDECSA-N
XLogP0.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (CID 44543454) is (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is C[C@@H]1OC=C(Br)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is LQQCFPGOSJOREX-FUTKDDECSA-N. The full InChI is InChI=1S/C6H9BrO3/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5-6,8-9H,1H3/t3-,5-,6-/m0/s1.
What are the key properties of (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
(2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 209.04 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5-bromo-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 44543454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).