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

C6H12O5 — CID 87629798

IUPAC(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h3-7,9-11H,1-2H2/t4-,5+,6+/m1/s1
InChIKeyFRJOXJBNQDZEBI-SRQIZXRXSA-N
MW164.16 g/mol
LogP-2.35
Rot. Bonds5

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

(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal (PubChem CID 87629798) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Name(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal
PubChem CID87629798
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h3-7,9-11H,1-2H2/t4-,5+,6+/m1/s1
InChIKeyFRJOXJBNQDZEBI-SRQIZXRXSA-N
XLogP-2.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
(2S,3R)-2,3,4-trihydroxybutanal;pentahydrate
CID 140967794
(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
CID 87767587
(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal
CID 173185656
(2S,4R)-pentane-1,2,3,4,5-pentol;propane-1,2,3-triol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 134284179
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol
CID 87178496
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(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
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal?
The IUPAC name of (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal (CID 87629798) is (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal.
What is the SMILES notation for (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal?
The canonical SMILES for (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal is O=C[C@H](O)[C@@H](O)C[C@@H](O)CO.
What is the InChIKey of (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal?
The InChIKey is FRJOXJBNQDZEBI-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h3-7,9-11H,1-2H2/t4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal?
(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal has a molecular weight of 164.16 g/mol, XLogP of -2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 87629798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).