(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal

C9H18O9 — CID 87088979

IUPAC(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O9/c10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h1,3-9,11-18H,2H2/t3-,4+,5+,6+,7+,8+,9-/m0/s1
InChIKeyFTPFGJRCSFAJNH-YTFTZPODSA-N
MW270.23 g/mol
LogP-5.30
Rot. Bonds8

About (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal

(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal (PubChem CID 87088979) has the molecular formula C9H18O9 and a molecular weight of 270.23 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
PubChem CID87088979
Molecular FormulaC9H18O9
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC Name(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O9/c10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h1,3-9,11-18H,2H2/t3-,4+,5+,6+,7+,8+,9-/m0/s1
InChIKeyFTPFGJRCSFAJNH-YTFTZPODSA-N
XLogP-5.30
TPSA178.91 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.23
LogP ≤ 5-5.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal
CID 146272392
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(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
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(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
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
CID 89396739
CID 89396739
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal?
The IUPAC name of (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal (CID 87088979) is (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal.
What is the SMILES notation for (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal?
The canonical SMILES for (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal is O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal?
The InChIKey is FTPFGJRCSFAJNH-YTFTZPODSA-N. The full InChI is InChI=1S/C9H18O9/c10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h1,3-9,11-18H,2H2/t3-,4+,5+,6+,7+,8+,9-/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal?
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal has a molecular weight of 270.23 g/mol, XLogP of -5.30, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal is sourced from PubChem (CID 87088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).