(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal

C10H20O9 — CID 88785652

IUPAC(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O9/c11-2-6(15)8(17)4(13)1-5(14)9(18)10(19)7(16)3-12/h3-11,13-19H,1-2H2/t4-,5-,6-,7+,8+,9-,10-/m1/s1
InChIKeyKFZZBDZWSXOGGZ-YGBSUFCSSA-N
MW284.26 g/mol
LogP-4.91
Rot. Bonds9

About (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal

(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal (PubChem CID 88785652) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal.

Molecular Properties

Compound Name(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal
PubChem CID88785652
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Name(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O9/c11-2-6(15)8(17)4(13)1-5(14)9(18)10(19)7(16)3-12/h3-11,13-19H,1-2H2/t4-,5-,6-,7+,8+,9-,10-/m1/s1
InChIKeyKFZZBDZWSXOGGZ-YGBSUFCSSA-N
XLogP-4.91
TPSA178.91 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.26
LogP ≤ 5-4.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal with MolForge

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Related Compounds

2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
CID 22593493
(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,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(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
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal?
The IUPAC name of (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal (CID 88785652) is (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal.
What is the SMILES notation for (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal?
The canonical SMILES for (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal is O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal?
The InChIKey is KFZZBDZWSXOGGZ-YGBSUFCSSA-N. The full InChI is InChI=1S/C10H20O9/c11-2-6(15)8(17)4(13)1-5(14)9(18)10(19)7(16)3-12/h3-11,13-19H,1-2H2/t4-,5-,6-,7+,8+,9-,10-/m1/s1.
What are the key properties of (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal?
(2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal has a molecular weight of 284.26 g/mol, XLogP of -4.91, 9 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,7R,8S,9R)-2,3,4,5,7,8,9,10-octahydroxydecanal is sourced from PubChem (CID 88785652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).