(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one

C18H28O7 — CID 102025925

IUPAC(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3CCC(O)O[C@H]3C)O[C@H]2C)C=CC1=O
InChIInChI=1S/C18H28O7/c1-10-13(19)4-8-17(22-10)25-15-6-9-18(23-12(15)3)24-14-5-7-16(20)21-11(14)2/h4,8,10-12,14-18,20H,5-7,9H2,1-3H3/t10-,11-,12-,14-,15-,16?,17-,18-/m0/s1
InChIKeyNOEDYZALIQANMK-ZLVAKLQYSA-N
MW356.42 g/mol
LogP1.67
Rot. Bonds4

About (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one

(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one (PubChem CID 102025925) has the molecular formula C18H28O7 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
PubChem CID102025925
Molecular FormulaC18H28O7
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3CCC(O)O[C@H]3C)O[C@H]2C)C=CC1=O
InChIInChI=1S/C18H28O7/c1-10-13(19)4-8-17(22-10)25-15-6-9-18(23-12(15)3)24-14-5-7-16(20)21-11(14)2/h4,8,10-12,14-18,20H,5-7,9H2,1-3H3/t10-,11-,12-,14-,15-,16?,17-,18-/m0/s1
InChIKeyNOEDYZALIQANMK-ZLVAKLQYSA-N
XLogP1.67
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one with MolForge

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Launch Full Analysis

Related Compounds

(2R,6S)-2-[(2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 14586831
4-(beta-d-Galactopyranosyloxy)-2-hydroxy-2-methyl-2h-pyran-3(6h)-one
CID 100973449
4-Glucosyloxy-2-hydroxy-2-methyl-2h-pyran-3(6h)one
CID 129720136
2-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-6-methyl-2H-pyran-5-one
CID 90378484
2-[(6S)-4-hydroxy-2,6-dimethyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 90378487
2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 90378523
2-(2,6-dimethyloxan-3-yl)oxy-6-methyl-2H-pyran-5-one
CID 117648005
2-[(3S,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]oxy-6-methyl-2H-pyran-5-one
CID 121430397
2-[(3S,4S,5S)-2-[(3S,4S,5S)-2-[(3R,5S)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyl-2H-pyran-5-one
CID 121430398
2-[(3S,4S,5S)-2-[(3R,5S)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyl-2H-pyran-5-one
CID 121430402
2-(2,6-dimethyloxan-3-yl)oxy-6-methyl-2H-pyran-5-one;2,6-dimethyl-2H-pyran-5-one
CID 157785490
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one;hexane-1,2,5,6-tetrol;methane
CID 160118391

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one (CID 102025925) is (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one is C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3CCC(O)O[C@H]3C)O[C@H]2C)C=CC1=O.
What is the InChIKey of (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The InChIKey is NOEDYZALIQANMK-ZLVAKLQYSA-N. The full InChI is InChI=1S/C18H28O7/c1-10-13(19)4-8-17(22-10)25-15-6-9-18(23-12(15)3)24-14-5-7-16(20)21-11(14)2/h4,8,10-12,14-18,20H,5-7,9H2,1-3H3/t10-,11-,12-,14-,15-,16?,17-,18-/m0/s1.
What are the key properties of (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one has a molecular weight of 356.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 102025925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).