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

C6H15AlO6 — CID 174945571

IUPACalumane;2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)C(O)C(O)CO.[AlH3]
InChIInChI=1S/C6H12O6.Al.3H/c7-1-3(9)5(11)6(12)4(10)2-8;;;;/h1,3-6,8-12H,2H2;;;;
InChIKeyQQQZYZQSHZNHAP-UHFFFAOYSA-N
MW210.16 g/mol
LogP-4.56
Rot. Bonds5

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

alumane;2,3,4,5,6-pentahydroxyhexanal (PubChem CID 174945571) has the molecular formula C6H15AlO6 and a molecular weight of 210.16 g/mol. Its IUPAC name is alumane;2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Namealumane;2,3,4,5,6-pentahydroxyhexanal
PubChem CID174945571
Molecular FormulaC6H15AlO6
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Namealumane;2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)C(O)C(O)CO.[AlH3]
InChIInChI=1S/C6H12O6.Al.3H/c7-1-3(9)5(11)6(12)4(10)2-8;;;;/h1,3-6,8-12H,2H2;;;;
InChIKeyQQQZYZQSHZNHAP-UHFFFAOYSA-N
XLogP-4.56
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-4.56
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
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
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

Frequently Asked Questions

What is the IUPAC name of alumane;2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of alumane;2,3,4,5,6-pentahydroxyhexanal (CID 174945571) is alumane;2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for alumane;2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for alumane;2,3,4,5,6-pentahydroxyhexanal is O=CC(O)C(O)C(O)C(O)CO.[AlH3].
What is the InChIKey of alumane;2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is QQQZYZQSHZNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.Al.3H/c7-1-3(9)5(11)6(12)4(10)2-8;;;;/h1,3-6,8-12H,2H2;;;;.
What are the key properties of alumane;2,3,4,5,6-pentahydroxyhexanal?
alumane;2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 210.16 g/mol, XLogP of -4.56, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 174945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).