(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol

C6H11BrO4 — CID 132529245

IUPAC(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](CO)[C@@H](Br)[C@@H]1O
InChIInChI=1S/C6H11BrO4/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,8-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyDYDCMRQKUMEBEU-KVTDHHQDSA-N
MW227.05 g/mol
LogP-1.14
Rot. Bonds2

About (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol

(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol (PubChem CID 132529245) has the molecular formula C6H11BrO4 and a molecular weight of 227.05 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol
PubChem CID132529245
Molecular FormulaC6H11BrO4
Molecular Weight227.05 g/mol
Exact Mass225.98
IUPAC Name(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](CO)[C@@H](Br)[C@@H]1O
InChIInChI=1S/C6H11BrO4/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,8-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyDYDCMRQKUMEBEU-KVTDHHQDSA-N
XLogP-1.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S)-4-bromo-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 58758219
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2-bromo-5-(hydroxymethyl)oxolane-3,4-diol
CID 22494825
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
2,5-bis(hydroxymethyl)-4-sulfanyloxolan-3-ol
CID 89267743
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol (CID 132529245) is (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](CO)[C@@H](Br)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol?
The InChIKey is DYDCMRQKUMEBEU-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H11BrO4/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,8-10H,1-2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol has a molecular weight of 227.05 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 132529245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).