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

C5H10BrNO3 — CID 18666633

IUPAC(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
SMILESNC1(Br)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10BrNO3/c6-5(7)1-3(9)4(2-8)10-5/h3-4,8-9H,1-2,7H2/t3-,4+,5?/m0/s1
InChIKeyDJGPVTMFJGBSLL-PYHARJCCSA-N
MW212.04 g/mol
LogP-0.86
Rot. Bonds1

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

(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 18666633) has the molecular formula C5H10BrNO3 and a molecular weight of 212.04 g/mol. Its IUPAC name is (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
PubChem CID18666633
Molecular FormulaC5H10BrNO3
Molecular Weight212.04 g/mol
Exact Mass210.98
IUPAC Name(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
SMILESNC1(Br)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10BrNO3/c6-5(7)1-3(9)4(2-8)10-5/h3-4,8-9H,1-2,7H2/t3-,4+,5?/m0/s1
InChIKeyDJGPVTMFJGBSLL-PYHARJCCSA-N
XLogP-0.86
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 89126678
(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 131201868
(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 11062955
(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
CID 69088897
(2'R,3S,3'S)-2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437622
2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437645
1-[(4S,5R)-2-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174539753
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2R,3S,5R)-5-(4-chlorophenyl)-2-(hydroxymethyl)-5-(iodomethyl)oxolan-3-ol
CID 11245609
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
2,3-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
CID 126761088
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol (CID 18666633) is (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol is NC1(Br)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DJGPVTMFJGBSLL-PYHARJCCSA-N. The full InChI is InChI=1S/C5H10BrNO3/c6-5(7)1-3(9)4(2-8)10-5/h3-4,8-9H,1-2,7H2/t3-,4+,5?/m0/s1.
What are the key properties of (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 212.04 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 18666633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).