(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol

C7H11BrO3 — CID 88976614

IUPAC(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C\Br)[C@H](O)C1O
InChIInChI=1S/C7H11BrO3/c1-4-6(9)7(10)5(11-4)2-3-8/h2-7,9-10H,1H3/b3-2-/t4-,5+,6?,7-/m0/s1
InChIKeyPSNNRPUQCXUJBX-QYOUTPCWSA-N
MW223.07 g/mol
LogP0.40
Rot. Bonds1

About (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol

(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol (PubChem CID 88976614) has the molecular formula C7H11BrO3 and a molecular weight of 223.07 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol
PubChem CID88976614
Molecular FormulaC7H11BrO3
Molecular Weight223.07 g/mol
Exact Mass221.99
IUPAC Name(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C\Br)[C@H](O)C1O
InChIInChI=1S/C7H11BrO3/c1-4-6(9)7(10)5(11-4)2-3-8/h2-7,9-10H,1H3/b3-2-/t4-,5+,6?,7-/m0/s1
InChIKeyPSNNRPUQCXUJBX-QYOUTPCWSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 57693247
CID 57693247
CID 57693256
CID 57693256
(2R,3R,5S)-2-[(Z)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976608
(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976613
(2R,3R,5S)-2-(2-bromo-2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 90864149
(2R,3R,5S)-2-(2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 91477847
2-Ethenyl-5-methyloxolan-3-ol
CID 85299218
5-Vinyltetrahydro-3-furanol
CID 14142025
2-Ethenyloxolan-3-ol
CID 14142042
2,5-Bis(ethenyl)oxolane-3,4-diol
CID 54334104
CID 57693154
CID 57693154
CID 57693249
CID 57693249

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol (CID 88976614) is (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](/C=C\Br)[C@H](O)C1O.
What is the InChIKey of (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol?
The InChIKey is PSNNRPUQCXUJBX-QYOUTPCWSA-N. The full InChI is InChI=1S/C7H11BrO3/c1-4-6(9)7(10)5(11-4)2-3-8/h2-7,9-10H,1H3/b3-2-/t4-,5+,6?,7-/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol?
(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol has a molecular weight of 223.07 g/mol, XLogP of 0.40, 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-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).