(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal

C12H24O10 — CID 157202007

IUPAC(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.O=CC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/2C6H12O5/c1-3(8)5(10)6(11)4(9)2-7;7-2-1-4(9)6(11)5(10)3-8/h2-6,8-11H,1H3;2,4-6,8-11H,1,3H2/t3-,4+,5+,6-;4-,5-,6+/m11/s1
InChIKeyAQXDLGIHANHBKM-JKORXPFKSA-N
MW328.31 g/mol
LogP-4.70
Rot. Bonds9

About (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal (PubChem CID 157202007) has the molecular formula C12H24O10 and a molecular weight of 328.31 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
PubChem CID157202007
Molecular FormulaC12H24O10
Molecular Weight328.31 g/mol
Exact Mass328.14
IUPAC Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.O=CC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/2C6H12O5/c1-3(8)5(10)6(11)4(9)2-7;7-2-1-4(9)6(11)5(10)3-8/h2-6,8-11H,1H3;2,4-6,8-11H,1,3H2/t3-,4+,5+,6-;4-,5-,6+/m11/s1
InChIKeyAQXDLGIHANHBKM-JKORXPFKSA-N
XLogP-4.70
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 5-4.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
ethanol;propane-1,2,3-triol;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 163871444
2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
CID 22593493
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
CID 159034378
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedial;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 161449030
(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
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal (CID 157202007) is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal is C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.O=CC[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal?
The InChIKey is AQXDLGIHANHBKM-JKORXPFKSA-N. The full InChI is InChI=1S/2C6H12O5/c1-3(8)5(10)6(11)4(9)2-7;7-2-1-4(9)6(11)5(10)3-8/h2-6,8-11H,1H3;2,4-6,8-11H,1,3H2/t3-,4+,5+,6-;4-,5-,6+/m11/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal?
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal has a molecular weight of 328.31 g/mol, XLogP of -4.70, 9 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 157202007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).