(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one

C14H24O6 — CID 10565279

IUPAC(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one
SMILESCC[C@@H]1[C@@H](C)OC(=O)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
InChIInChI=1S/C14H24O6/c1-4-9-7(2)18-12(16)6-11(9)20-13-5-10(15)14(17)8(3)19-13/h7-11,13-15,17H,4-6H2,1-3H3/t7-,8+,9-,10+,11-,13+,14-/m1/s1
InChIKeyCMXATUILVILQQE-UGMPATFPSA-N
MW288.34 g/mol
LogP0.59
Rot. Bonds3

About (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one

(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one (PubChem CID 10565279) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one
PubChem CID10565279
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one
SMILESCC[C@@H]1[C@@H](C)OC(=O)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
InChIInChI=1S/C14H24O6/c1-4-9-7(2)18-12(16)6-11(9)20-13-5-10(15)14(17)8(3)19-13/h7-11,13-15,17H,4-6H2,1-3H3/t7-,8+,9-,10+,11-,13+,14-/m1/s1
InChIKeyCMXATUILVILQQE-UGMPATFPSA-N
XLogP0.59
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one?
The IUPAC name of (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one (CID 10565279) is (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one.
What is the SMILES notation for (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one?
The canonical SMILES for (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one is CC[C@@H]1[C@@H](C)OC(=O)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1.
What is the InChIKey of (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one?
The InChIKey is CMXATUILVILQQE-UGMPATFPSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-9-7(2)18-12(16)6-11(9)20-13-5-10(15)14(17)8(3)19-13/h7-11,13-15,17H,4-6H2,1-3H3/t7-,8+,9-,10+,11-,13+,14-/m1/s1.
What are the key properties of (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one?
(4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one has a molecular weight of 288.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6-methyloxan-2-one is sourced from PubChem (CID 10565279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).