(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol

C6H12Br2O4 — CID 656655

IUPAC(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
SMILESO[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr
InChIInChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyVFKZTMPDYBFSTM-KVTDHHQDSA-N
MW307.97 g/mol
LogP-0.78
Rot. Bonds5

About (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol

(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol (PubChem CID 656655) has the molecular formula C6H12Br2O4 and a molecular weight of 307.97 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
PubChem CID656655
Molecular FormulaC6H12Br2O4
Molecular Weight307.97 g/mol
Exact Mass305.91
IUPAC Name(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
SMILESO[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr
InChIInChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyVFKZTMPDYBFSTM-KVTDHHQDSA-N
XLogP-0.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 5-0.78
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

Mitolactol
CID 5284380
1,6-Dibromo-1,6-dideoxyhexitol
CID 4208
Mannitol, 6-bromo-6-deoxy-, (D)-
CID 27283
(2R,3S,4S,5R)-1,6-dibromohexane-2,3,4,5-tetrol
CID 5284381
CID 9861408
CID 9861408
5-Bromopentane-1,2-diol
CID 21305690
1,6-Dibromo-dulcitol
CID 53904398
(2S,3S,4R,5R)-1,1-dibromohexane-1,2,3,4,5,6-hexol
CID 54483421
(2R,3S,4S,5R)-1,1-dibromohexane-1,2,3,4,5,6-hexol
CID 54483422
Dibrom-mannitol
CID 129664426
(2R,3S,4R,5S)-1,1-dibromohexane-1,2,3,4,5,6-hexol
CID 129677180
1,6-Dibromo-dideoxy-d-mannitol
CID 129678776

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol (CID 656655) is (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol is O[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr.
What is the InChIKey of (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol?
The InChIKey is VFKZTMPDYBFSTM-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol?
(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol has a molecular weight of 307.97 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol is sourced from PubChem (CID 656655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).