(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal

C6H12O5 — CID 18341048

IUPAC(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
SMILESC[C@](O)(C=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O5/c1-6(11,3-8)5(10)4(9)2-7/h3-5,7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1
InChIKeyOSBKZZCHLHZCDB-PBXRRBTRSA-N
MW164.16 g/mol
LogP-2.35
Rot. Bonds4

About (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal

(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal (PubChem CID 18341048) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
PubChem CID18341048
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
SMILESC[C@](O)(C=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O5/c1-6(11,3-8)5(10)4(9)2-7/h3-5,7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1
InChIKeyOSBKZZCHLHZCDB-PBXRRBTRSA-N
XLogP-2.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
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,4R)-2-acetyl-2,3,4,5-tetrahydroxypentanal
CID 20638965
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 18957545
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824
2-hydroxy-3-oxo-2-(1,2,3-trihydroxypropyl)butanedial
CID 174939298
(2S)-2-amino-2,3,4,5,6-pentahydroxyhexanal
CID 135374199
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
(3R,4S,5R,6R)-2-amino-2,3,4,5,6,7-hexahydroxyheptanal
CID 150619072
(2R,3S,4R,5R)-2-amino-1-deuterio-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175982160
N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide
CID 141249710
(2S,3R)-2,3,4-trihydroxybutanal;pentahydrate
CID 140967794
4,5,6,7-tetrahydroxy-3-methoxy-3,4-dimethylheptan-2-one
CID 22600717

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal?
The IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal (CID 18341048) is (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal.
What is the SMILES notation for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal?
The canonical SMILES for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal is C[C@](O)(C=O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal?
The InChIKey is OSBKZZCHLHZCDB-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(11,3-8)5(10)4(9)2-7/h3-5,7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal?
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal has a molecular weight of 164.16 g/mol, XLogP of -2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal is sourced from PubChem (CID 18341048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).