[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

C20H23BrO4 — CID 13009797

IUPAC[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESOC[C@H]1O[C@@H](CBr)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H23BrO4/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20+/m0/s1
InChIKeyIZUNLTZYUIRHKJ-MTQWCTHYSA-N
MW407.30 g/mol
LogP3.31
Rot. Bonds8

About [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (PubChem CID 13009797) has the molecular formula C20H23BrO4 and a molecular weight of 407.30 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
PubChem CID13009797
Molecular FormulaC20H23BrO4
Molecular Weight407.30 g/mol
Exact Mass406.08
IUPAC Name[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESOC[C@H]1O[C@@H](CBr)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H23BrO4/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20+/m0/s1
InChIKeyIZUNLTZYUIRHKJ-MTQWCTHYSA-N
XLogP3.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897
[(2R,3S,4S,5R,6S)-6-benzylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 102062083
[(2R,3R,4S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol
CID 11318721
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (CID 13009797) is [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is OC[C@H]1O[C@@H](CBr)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The InChIKey is IZUNLTZYUIRHKJ-MTQWCTHYSA-N. The full InChI is InChI=1S/C20H23BrO4/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20+/m0/s1.
What are the key properties of [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol has a molecular weight of 407.30 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 13009797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).