(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol

C26H46O6 — CID 90815424

IUPAC(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
SMILESCCC1OC=CC(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](O)C2C)[C@H](C)C1C
InChIInChI=1S/C26H46O6/c1-9-19-17(7)22(27)18(8)26(29-19)32-24-15(5)16(6)25(30-21(24)11-3)31-23-14(4)12-13-28-20(23)10-2/h12-27H,9-11H2,1-8H3/t14?,15-,16?,17+,18?,19?,20?,21?,22+,23+,24-,25+,26-/m1/s1
InChIKeyWRVXGANQXBWILR-VBEYCGLRSA-N
MW454.65 g/mol
LogP4.89
Rot. Bonds7

About (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol

(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol (PubChem CID 90815424) has the molecular formula C26H46O6 and a molecular weight of 454.65 g/mol. Its IUPAC name is (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
PubChem CID90815424
Molecular FormulaC26H46O6
Molecular Weight454.65 g/mol
Exact Mass454.33
IUPAC Name(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
SMILESCCC1OC=CC(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](O)C2C)[C@H](C)C1C
InChIInChI=1S/C26H46O6/c1-9-19-17(7)22(27)18(8)26(29-19)32-24-15(5)16(6)25(30-21(24)11-3)31-23-14(4)12-13-28-20(23)10-2/h12-27H,9-11H2,1-8H3/t14?,15-,16?,17+,18?,19?,20?,21?,22+,23+,24-,25+,26-/m1/s1
InChIKeyWRVXGANQXBWILR-VBEYCGLRSA-N
XLogP4.89
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
CID 20708699
[(3R,6S)-2-ethyl-6-[[(3R)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-3,5-dihydroxyoxan-4-yl]methylidene-oxotin
CID 59872129
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane
CID 163701937
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
(2R,3S,4S,5R,6S)-2-ethyl-6-[(2S,3R,4S,5R)-4-hydroxy-2-[(2S,3R,4S,5R)-4-hydroxy-2,5-dimethyloxan-3-yl]oxy-5-methyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
CID 90246506
actinium;(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(2R,3S,6S)-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044812
(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 70820079

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol?
The IUPAC name of (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol (CID 90815424) is (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol.
What is the SMILES notation for (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol?
The canonical SMILES for (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol is CCC1OC=CC(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](O)C2C)[C@H](C)C1C.
What is the InChIKey of (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol?
The InChIKey is WRVXGANQXBWILR-VBEYCGLRSA-N. The full InChI is InChI=1S/C26H46O6/c1-9-19-17(7)22(27)18(8)26(29-19)32-24-15(5)16(6)25(30-21(24)11-3)31-23-14(4)12-13-28-20(23)10-2/h12-27H,9-11H2,1-8H3/t14?,15-,16?,17+,18?,19?,20?,21?,22+,23+,24-,25+,26-/m1/s1.
What are the key properties of (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol?
(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol has a molecular weight of 454.65 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 90815424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).