(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol

C6H10Br4O2 — CID 98532644

IUPAC(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol
SMILESO[C@H]([C@H](O)[C@H](Br)CBr)[C@@H](Br)CBr
InChIInChI=1S/C6H10Br4O2/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,11-12H,1-2H2/t3-,4+,5-,6+
InChIKeyPDGJYFHAJOJUON-FBXFSONDSA-N
MW433.76 g/mol
LogP2.03
Rot. Bonds5

About (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol

(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol (PubChem CID 98532644) has the molecular formula C6H10Br4O2 and a molecular weight of 433.76 g/mol. Its IUPAC name is (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol
PubChem CID98532644
Molecular FormulaC6H10Br4O2
Molecular Weight433.76 g/mol
Exact Mass429.74
IUPAC Name(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol
SMILESO[C@H]([C@H](O)[C@H](Br)CBr)[C@@H](Br)CBr
InChIInChI=1S/C6H10Br4O2/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,11-12H,1-2H2/t3-,4+,5-,6+
InChIKeyPDGJYFHAJOJUON-FBXFSONDSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol (CID 98532644) is (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol is O[C@H]([C@H](O)[C@H](Br)CBr)[C@@H](Br)CBr.
What is the InChIKey of (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol?
The InChIKey is PDGJYFHAJOJUON-FBXFSONDSA-N. The full InChI is InChI=1S/C6H10Br4O2/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,11-12H,1-2H2/t3-,4+,5-,6+.
What are the key properties of (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol?
(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol has a molecular weight of 433.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol is sourced from PubChem (CID 98532644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).