(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol

C5H11BrO4 — CID 101009781

IUPAC(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)CBr
InChIInChI=1S/C5H11BrO4/c6-1-3(8)5(10)4(9)2-7/h3-5,7-10H,1-2H2/t3-,4+,5+/m1/s1
InChIKeyXYWBUTVJQGOAGJ-WISUUJSJSA-N
MW215.04 g/mol
LogP-1.54
Rot. Bonds4

About (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol

(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol (PubChem CID 101009781) has the molecular formula C5H11BrO4 and a molecular weight of 215.04 g/mol. Its IUPAC name is (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol
PubChem CID101009781
Molecular FormulaC5H11BrO4
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)CBr
InChIInChI=1S/C5H11BrO4/c6-1-3(8)5(10)4(9)2-7/h3-5,7-10H,1-2H2/t3-,4+,5+/m1/s1
InChIKeyXYWBUTVJQGOAGJ-WISUUJSJSA-N
XLogP-1.54
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2R,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
CID 6713087
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol (CID 101009781) is (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol is OC[C@H](O)[C@@H](O)[C@H](O)CBr.
What is the InChIKey of (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol?
The InChIKey is XYWBUTVJQGOAGJ-WISUUJSJSA-N. The full InChI is InChI=1S/C5H11BrO4/c6-1-3(8)5(10)4(9)2-7/h3-5,7-10H,1-2H2/t3-,4+,5+/m1/s1.
What are the key properties of (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol?
(2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol has a molecular weight of 215.04 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5-bromopentane-1,2,3,4-tetrol is sourced from PubChem (CID 101009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).