(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal

C10H20O4 — CID 139665627

IUPAC(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
SMILESCC(C)CCC[C@@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C10H20O4/c1-7(2)4-3-5-8(12)10(14)9(13)6-11/h6-10,12-14H,3-5H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyYCLVGQZYCCOHNT-KXUCPTDWSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds7

About (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal

(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal (PubChem CID 139665627) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
PubChem CID139665627
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
SMILESCC(C)CCC[C@@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C10H20O4/c1-7(2)4-3-5-8(12)10(14)9(13)6-11/h6-10,12-14H,3-5H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyYCLVGQZYCCOHNT-KXUCPTDWSA-N
XLogP0.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 91588930
(2S,3R,4S,5R)-2,3,4,5,7-pentahydroxyheptanal
CID 87503461
3-hydroxy-4,8-dimethylnonanal
CID 87291569
(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
(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,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
2,4,6-trihydroxy-3-methylhexanal
CID 118501629

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal?
The IUPAC name of (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal (CID 139665627) is (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal.
What is the SMILES notation for (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal?
The canonical SMILES for (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal is CC(C)CCC[C@@H](O)[C@@H](O)[C@@H](O)C=O.
What is the InChIKey of (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal?
The InChIKey is YCLVGQZYCCOHNT-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(2)4-3-5-8(12)10(14)9(13)6-11/h6-10,12-14H,3-5H2,1-2H3/t8-,9+,10-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal?
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal has a molecular weight of 204.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal is sourced from PubChem (CID 139665627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).