(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol

C8H12Br2O3 — CID 11174515

IUPAC(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol
SMILESCO[C@@H]1C[C@H](O)C[C@@H](C=C(Br)Br)O1
InChIInChI=1S/C8H12Br2O3/c1-12-8-3-5(11)2-6(13-8)4-7(9)10/h4-6,8,11H,2-3H2,1H3/t5-,6+,8+/m1/s1
InChIKeyXVRJALTZMMNTSL-CHKWXVPMSA-N
MW315.99 g/mol
LogP2.13
Rot. Bonds2

About (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol

(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol (PubChem CID 11174515) has the molecular formula C8H12Br2O3 and a molecular weight of 315.99 g/mol. Its IUPAC name is (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol
PubChem CID11174515
Molecular FormulaC8H12Br2O3
Molecular Weight315.99 g/mol
Exact Mass313.92
IUPAC Name(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol
SMILESCO[C@@H]1C[C@H](O)C[C@@H](C=C(Br)Br)O1
InChIInChI=1S/C8H12Br2O3/c1-12-8-3-5(11)2-6(13-8)4-7(9)10/h4-6,8,11H,2-3H2,1H3/t5-,6+,8+/m1/s1
InChIKeyXVRJALTZMMNTSL-CHKWXVPMSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol?
The IUPAC name of (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol (CID 11174515) is (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol?
The canonical SMILES for (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol is CO[C@@H]1C[C@H](O)C[C@@H](C=C(Br)Br)O1.
What is the InChIKey of (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol?
The InChIKey is XVRJALTZMMNTSL-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H12Br2O3/c1-12-8-3-5(11)2-6(13-8)4-7(9)10/h4-6,8,11H,2-3H2,1H3/t5-,6+,8+/m1/s1.
What are the key properties of (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol?
(2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol has a molecular weight of 315.99 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-(2,2-dibromoethenyl)-6-methoxyoxan-4-ol is sourced from PubChem (CID 11174515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).