(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol

C7H10Br2O3 — CID 88976612

IUPAC(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=C(Br)Br)[C@H](O)C1O
InChIInChI=1S/C7H10Br2O3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/t3-,4+,6?,7-/m0/s1
InChIKeyDZNOPJGIHJLHQQ-UNYIURARSA-N
MW301.96 g/mol
LogP1.13
Rot. Bonds1

About (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol

(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol (PubChem CID 88976612) has the molecular formula C7H10Br2O3 and a molecular weight of 301.96 g/mol. Its IUPAC name is (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol
PubChem CID88976612
Molecular FormulaC7H10Br2O3
Molecular Weight301.96 g/mol
Exact Mass299.90
IUPAC Name(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=C(Br)Br)[C@H](O)C1O
InChIInChI=1S/C7H10Br2O3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/t3-,4+,6?,7-/m0/s1
InChIKeyDZNOPJGIHJLHQQ-UNYIURARSA-N
XLogP1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.96
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol (CID 88976612) is (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](C=C(Br)Br)[C@H](O)C1O.
What is the InChIKey of (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol?
The InChIKey is DZNOPJGIHJLHQQ-UNYIURARSA-N. The full InChI is InChI=1S/C7H10Br2O3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/t3-,4+,6?,7-/m0/s1.
What are the key properties of (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol?
(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol has a molecular weight of 301.96 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).