cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

C11H22O11 — CID 88608048

IUPACcyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@@H](O)[C@H](O)[C@H](O)CO.OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.C5H10O5/c7-1-2(8)4(10)6(12)5(11)3(1)9;6-1-3(8)5(10)4(9)2-7/h1-12H;1,3-5,7-10H,2H2/t;3-,4-,5+/m.1/s1
InChIKeyMYIHAEUZZCCTRR-HUOQAHFNSA-N
MW330.29 g/mol
LogP-6.57
Rot. Bonds4

About cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 88608048) has the molecular formula C11H22O11 and a molecular weight of 330.29 g/mol. Its IUPAC name is cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Namecyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID88608048
Molecular FormulaC11H22O11
Molecular Weight330.29 g/mol
Exact Mass330.12
IUPAC Namecyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@@H](O)[C@H](O)[C@H](O)CO.OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.C5H10O5/c7-1-2(8)4(10)6(12)5(11)3(1)9;6-1-3(8)5(10)4(9)2-7/h1-12H;1,3-5,7-10H,2H2/t;3-,4-,5+/m.1/s1
InChIKeyMYIHAEUZZCCTRR-HUOQAHFNSA-N
XLogP-6.57
TPSA219.37 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500330.29
LogP ≤ 5-6.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal with MolForge

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Related Compounds

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(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
(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

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 88608048) is cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is O=C[C@@H](O)[C@H](O)[C@H](O)CO.OC1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is MYIHAEUZZCCTRR-HUOQAHFNSA-N. The full InChI is InChI=1S/C6H12O6.C5H10O5/c7-1-2(8)4(10)6(12)5(11)3(1)9;6-1-3(8)5(10)4(9)2-7/h1-12H;1,3-5,7-10H,2H2/t;3-,4-,5+/m.1/s1.
What are the key properties of cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 330.29 g/mol, XLogP of -6.57, 4 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 88608048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).