(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane

C10H19BrO5 — CID 14374457

IUPAC(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
SMILESCO[C@H]1O[C@H](CBr)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H19BrO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyCFNXWCHJEYOQEO-SPFKKGSWSA-N
MW299.16 g/mol
LogP0.80
Rot. Bonds5

About (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane

(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane (PubChem CID 14374457) has the molecular formula C10H19BrO5 and a molecular weight of 299.16 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
PubChem CID14374457
Molecular FormulaC10H19BrO5
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
SMILESCO[C@H]1O[C@H](CBr)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H19BrO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyCFNXWCHJEYOQEO-SPFKKGSWSA-N
XLogP0.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane?
The IUPAC name of (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane (CID 14374457) is (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane.
What is the SMILES notation for (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane?
The canonical SMILES for (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane is CO[C@H]1O[C@H](CBr)[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane?
The InChIKey is CFNXWCHJEYOQEO-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H19BrO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane?
(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane has a molecular weight of 299.16 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane is sourced from PubChem (CID 14374457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).