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

C11H22O10 — CID 87725092

IUPAC(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O5.C5H10O5/c1-3(8)5(10)6(11)4(9)2-7;6-1-3(8)5(10)4(9)2-7/h2-6,8-11H,1H3;1,3-5,7-10H,2H2/t3-,4-,5-,6-;3-,4-,5+/m01/s1
InChIKeyQMYDHJSXOZCPFF-DPZOSDGHSA-N
MW314.29 g/mol
LogP-5.09
Rot. Bonds8

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

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 87725092) has the molecular formula C11H22O10 and a molecular weight of 314.29 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID87725092
Molecular FormulaC11H22O10
Molecular Weight314.29 g/mol
Exact Mass314.12
IUPAC Name(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O5.C5H10O5/c1-3(8)5(10)6(11)4(9)2-7;6-1-3(8)5(10)4(9)2-7/h2-6,8-11H,1H3;1,3-5,7-10H,2H2/t3-,4-,5-,6-;3-,4-,5+/m01/s1
InChIKeyQMYDHJSXOZCPFF-DPZOSDGHSA-N
XLogP-5.09
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.29
LogP ≤ 5-5.09
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

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
(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,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
CID 157202007
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(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
(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)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 87725092) is (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is QMYDHJSXOZCPFF-DPZOSDGHSA-N. The full InChI is InChI=1S/C6H12O5.C5H10O5/c1-3(8)5(10)6(11)4(9)2-7;6-1-3(8)5(10)4(9)2-7/h2-6,8-11H,1H3;1,3-5,7-10H,2H2/t3-,4-,5-,6-;3-,4-,5+/m01/s1.
What are the key properties of (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 314.29 g/mol, XLogP of -5.09, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 87725092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).