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

C10H20O9 — CID 56619103

IUPAC(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H20O9/c1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-11/h3-9,11-18H,2H2,1H3/t3-,4+,5-,6-,7+,8+,9+/m1/s1
InChIKeyIWVGVRYMNNLIKH-LFKQKWFHSA-N
MW284.26 g/mol
LogP-4.91
Rot. Bonds8

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

(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one (PubChem CID 56619103) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one.

Molecular Properties

Compound Name(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
PubChem CID56619103
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Name(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H20O9/c1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-11/h3-9,11-18H,2H2,1H3/t3-,4+,5-,6-,7+,8+,9+/m1/s1
InChIKeyIWVGVRYMNNLIKH-LFKQKWFHSA-N
XLogP-4.91
TPSA178.91 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
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

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

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Related Compounds

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CID 54524447
(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
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CID 174187958
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CID 139765414
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CID 89370817
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
CID 159034378
(2S,3S,5R)-1,2,3,5,6-pentahydroxyheptan-4-one
CID 54092437
(5R,6S,7R)-3,5,6,7,8-pentahydroxyoctan-4-one
CID 141162248
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one?
The IUPAC name of (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one (CID 56619103) is (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one.
What is the SMILES notation for (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one?
The canonical SMILES for (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one is C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one?
The InChIKey is IWVGVRYMNNLIKH-LFKQKWFHSA-N. The full InChI is InChI=1S/C10H20O9/c1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-11/h3-9,11-18H,2H2,1H3/t3-,4+,5-,6-,7+,8+,9+/m1/s1.
What are the key properties of (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one?
(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one has a molecular weight of 284.26 g/mol, XLogP of -4.91, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one is sourced from PubChem (CID 56619103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).