(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one

C22H30O6 — CID 10668123

IUPAC(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one
SMILESC[C@H]1CC[C@H]([C@H]2CC(=O)C=CO2)O[C@@H]1[C@H]1O[C@@H]([C@H]2CC(=O)C=CO2)CC[C@@H]1C
InChIInChI=1S/C22H30O6/c1-13-3-5-17(19-11-15(23)7-9-25-19)27-21(13)22-14(2)4-6-18(28-22)20-12-16(24)8-10-26-20/h7-10,13-14,17-22H,3-6,11-12H2,1-2H3/t13-,14-,17+,18+,19+,20+,21-,22-/m0/s1
InChIKeyZSRUBRBMPWDMAZ-RZPZPBHASA-N
MW390.48 g/mol
LogP3.10
Rot. Bonds3

About (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one

(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one (PubChem CID 10668123) has the molecular formula C22H30O6 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one
PubChem CID10668123
Molecular FormulaC22H30O6
Molecular Weight390.48 g/mol
Exact Mass390.20
IUPAC Name(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one
SMILESC[C@H]1CC[C@H]([C@H]2CC(=O)C=CO2)O[C@@H]1[C@H]1O[C@@H]([C@H]2CC(=O)C=CO2)CC[C@@H]1C
InChIInChI=1S/C22H30O6/c1-13-3-5-17(19-11-15(23)7-9-25-19)27-21(13)22-14(2)4-6-18(28-22)20-12-16(24)8-10-26-20/h7-10,13-14,17-22H,3-6,11-12H2,1-2H3/t13-,14-,17+,18+,19+,20+,21-,22-/m0/s1
InChIKeyZSRUBRBMPWDMAZ-RZPZPBHASA-N
XLogP3.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one with MolForge

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Launch Full Analysis

Related Compounds

2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
CID 130730289
(5R,7R)-4-amino-7-[(2R,5S,6S)-6-[(2S,3S,6R)-6-[(5R,7R)-4-amino-6-methyl-2-oxo-1,8-dioxaspiro[4.5]dec-3-en-7-yl]-3-methyloxan-2-yl]-5-methyloxan-2-yl]-6-methyl-1,8-dioxaspiro[4.5]dec-3-en-2-one
CID 102063890
ethyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
CID 86331891
N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide
CID 11435312
(2S)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydropyran-4-one
CID 14859707
2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
CID 79977331
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
CID 10987505
(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
CID 10821644
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
2-(5-bromothiophen-3-yl)-2,3-dihydropyran-4-one
CID 130525027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one (CID 10668123) is (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one is C[C@H]1CC[C@H]([C@H]2CC(=O)C=CO2)O[C@@H]1[C@H]1O[C@@H]([C@H]2CC(=O)C=CO2)CC[C@@H]1C.
What is the InChIKey of (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one?
The InChIKey is ZSRUBRBMPWDMAZ-RZPZPBHASA-N. The full InChI is InChI=1S/C22H30O6/c1-13-3-5-17(19-11-15(23)7-9-25-19)27-21(13)22-14(2)4-6-18(28-22)20-12-16(24)8-10-26-20/h7-10,13-14,17-22H,3-6,11-12H2,1-2H3/t13-,14-,17+,18+,19+,20+,21-,22-/m0/s1.
What are the key properties of (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one?
(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one has a molecular weight of 390.48 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 10668123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).