(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one

C8H16O6 — CID 54201894

IUPAC(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
SMILESCOC(C)C(O)C(=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O6/c1-4(14-2)6(11)8(13)7(12)5(10)3-9/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7-/m1/s1
InChIKeyPPVLNPCHIKKINW-DHJFATIGSA-N
MW208.21 g/mol
LogP-2.33
Rot. Bonds6

About (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one

(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one (PubChem CID 54201894) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one.

Molecular Properties

Compound Name(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
PubChem CID54201894
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
SMILESCOC(C)C(O)C(=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O6/c1-4(14-2)6(11)8(13)7(12)5(10)3-9/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7-/m1/s1
InChIKeyPPVLNPCHIKKINW-DHJFATIGSA-N
XLogP-2.33
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,5R)-1,2,3,5,6-pentahydroxyheptan-4-one
CID 54092437
(3S,4R)-3,4,5-trihydroxy-1-methoxypentan-2-one
CID 90002690
(2S,4R,5S)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303435
(4R,5R)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303436
3-hydroxy-4-methoxypentan-2-one
CID 100919894
1-azido-4,5,6-trihydroxy-2-methoxyhexan-3-one
CID 54353674
(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
CID 54572556
2,4,5,6-tetrahydroxy-3-oxohexanoic acid
CID 95
(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
CID 56619103
(3R)-3,4,5-trihydroxy-2-oxopentanoic acid
CID 123252799
(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
methyl (3R,4S,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
CID 54006573

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one?
The IUPAC name of (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one (CID 54201894) is (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one.
What is the SMILES notation for (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one?
The canonical SMILES for (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one is COC(C)C(O)C(=O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one?
The InChIKey is PPVLNPCHIKKINW-DHJFATIGSA-N. The full InChI is InChI=1S/C8H16O6/c1-4(14-2)6(11)8(13)7(12)5(10)3-9/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7-/m1/s1.
What are the key properties of (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one?
(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one has a molecular weight of 208.21 g/mol, XLogP of -2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one is sourced from PubChem (CID 54201894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).