2,3,4,5,6-pentahydroxyhexanal;hydrobromide

C6H13BrO6 — CID 174381497

IUPAC2,3,4,5,6-pentahydroxyhexanal;hydrobromide
SMILESBr.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.BrH/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H
InChIKeyQWMHJRQNEVHLGK-UHFFFAOYSA-N
MW261.07 g/mol
LogP-2.80
Rot. Bonds5

About 2,3,4,5,6-pentahydroxyhexanal;hydrobromide

2,3,4,5,6-pentahydroxyhexanal;hydrobromide (PubChem CID 174381497) has the molecular formula C6H13BrO6 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxyhexanal;hydrobromide.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxyhexanal;hydrobromide
PubChem CID174381497
Molecular FormulaC6H13BrO6
Molecular Weight261.07 g/mol
Exact Mass259.99
IUPAC Name2,3,4,5,6-pentahydroxyhexanal;hydrobromide
SMILESBr.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.BrH/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H
InChIKeyQWMHJRQNEVHLGK-UHFFFAOYSA-N
XLogP-2.80
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 5-2.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
CID 89396739
CID 89396739
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxyhexanal;hydrobromide?
The IUPAC name of 2,3,4,5,6-pentahydroxyhexanal;hydrobromide (CID 174381497) is 2,3,4,5,6-pentahydroxyhexanal;hydrobromide.
What is the SMILES notation for 2,3,4,5,6-pentahydroxyhexanal;hydrobromide?
The canonical SMILES for 2,3,4,5,6-pentahydroxyhexanal;hydrobromide is Br.O=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxyhexanal;hydrobromide?
The InChIKey is QWMHJRQNEVHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.BrH/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H.
What are the key properties of 2,3,4,5,6-pentahydroxyhexanal;hydrobromide?
2,3,4,5,6-pentahydroxyhexanal;hydrobromide has a molecular weight of 261.07 g/mol, XLogP of -2.80, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxyhexanal;hydrobromide is sourced from PubChem (CID 174381497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).