(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one

C9H18O9 — CID 54572556

IUPAC(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)[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/h3-8,10-17H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
InChIKeyZYINTGCCSRGTIW-XAZAIFFQSA-N
MW270.23 g/mol
LogP-5.29
Rot. Bonds8

About (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one

(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one (PubChem CID 54572556) has the molecular formula C9H18O9 and a molecular weight of 270.23 g/mol. Its IUPAC name is (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one.

Molecular Properties

Compound Name(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
PubChem CID54572556
Molecular FormulaC9H18O9
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC Name(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)[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/h3-8,10-17H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
InChIKeyZYINTGCCSRGTIW-XAZAIFFQSA-N
XLogP-5.29
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 ≤ 5-5.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one with MolForge

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Related Compounds

(3S,4R,5R)-1,1,3,4,5,6-hexahydroxyhexan-2-one
CID 150795410
(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
CID 56619103
1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
CID 131873541
(5S,6R,7R)-1,2-diamino-3,5,6,7,8-pentahydroxyoctan-4-one
CID 91559405
iron(3+);bis((3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one)
CID 157392156
azane;1,3,4,5,6-pentahydroxyhexan-2-one
CID 22315777
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87261503
(5R,6S,7R)-3,5,6,7,8-pentahydroxyoctan-4-one
CID 141162248
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
(2S,3R,4R,5S,6R,8S,9R,10R,11S,12R,13R)-1,2,3,4,5,6,8,9,10,11,12,13-dodecahydroxytetradecan-7-one
CID 54524447
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
CID 5460056

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one?
The IUPAC name of (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one (CID 54572556) is (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one.
What is the SMILES notation for (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one?
The canonical SMILES for (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one is O=C([C@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one?
The InChIKey is ZYINTGCCSRGTIW-XAZAIFFQSA-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/h3-8,10-17H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one?
(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one has a molecular weight of 270.23 g/mol, XLogP of -5.29, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one is sourced from PubChem (CID 54572556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).