(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane

C50H90O10 — CID 134973881

IUPAC(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1O[C@@H]1C(C)O[C@@H](OC2C(C)[C@@H]([C@@H]3C(C)O[C@@H](OC4C(C)[C@H](O[C@@H]5C(C)O[C@@H](C)C(C)C5C)OC(C)[C@H]4C)C(C)C3C)OC(C)[C@H]2C)C(C)C1C
InChIInChI=1S/C50H90O10/c1-21-22(2)35(15)53-47(27(21)7)59-45-26(6)29(9)49(56-40(45)20)57-42-30(10)36(16)52-46(32(42)12)41-24(4)28(8)48(55-38(41)18)58-43-31(11)37(17)54-50(33(43)13)60-44-25(5)23(3)34(14)51-39(44)19/h21-50H,1-20H3/t21?,22-,23?,24?,25?,26?,27?,28?,29?,30+,31+,32?,33?,34-,35?,36?,37?,38?,39?,40?,41-,42?,43?,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKeyUENCZALCWCFOPB-CUIJEXPJSA-N
MW851.26 g/mol
LogP9.99
Rot. Bonds9

About (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane

(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane (PubChem CID 134973881) has the molecular formula C50H90O10 and a molecular weight of 851.26 g/mol. Its IUPAC name is (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane.

Molecular Properties

Compound Name(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane
PubChem CID134973881
Molecular FormulaC50H90O10
Molecular Weight851.26 g/mol
Exact Mass850.65
IUPAC Name(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1O[C@@H]1C(C)O[C@@H](OC2C(C)[C@@H]([C@@H]3C(C)O[C@@H](OC4C(C)[C@H](O[C@@H]5C(C)O[C@@H](C)C(C)C5C)OC(C)[C@H]4C)C(C)C3C)OC(C)[C@H]2C)C(C)C1C
InChIInChI=1S/C50H90O10/c1-21-22(2)35(15)53-47(27(21)7)59-45-26(6)29(9)49(56-40(45)20)57-42-30(10)36(16)52-46(32(42)12)41-24(4)28(8)48(55-38(41)18)58-43-31(11)37(17)54-50(33(43)13)60-44-25(5)23(3)34(14)51-39(44)19/h21-50H,1-20H3/t21?,22-,23?,24?,25?,26?,27?,28?,29?,30+,31+,32?,33?,34-,35?,36?,37?,38?,39?,40?,41-,42?,43?,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKeyUENCZALCWCFOPB-CUIJEXPJSA-N
XLogP9.99
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.26
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane?
The IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane (CID 134973881) is (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane.
What is the SMILES notation for (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane?
The canonical SMILES for (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane is CC1C(C)[C@H](C)C(C)O[C@H]1O[C@@H]1C(C)O[C@@H](OC2C(C)[C@@H]([C@@H]3C(C)O[C@@H](OC4C(C)[C@H](O[C@@H]5C(C)O[C@@H](C)C(C)C5C)OC(C)[C@H]4C)C(C)C3C)OC(C)[C@H]2C)C(C)C1C.
What is the InChIKey of (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane?
The InChIKey is UENCZALCWCFOPB-CUIJEXPJSA-N. The full InChI is InChI=1S/C50H90O10/c1-21-22(2)35(15)53-47(27(21)7)59-45-26(6)29(9)49(56-40(45)20)57-42-30(10)36(16)52-46(32(42)12)41-24(4)28(8)48(55-38(41)18)58-43-31(11)37(17)54-50(33(43)13)60-44-25(5)23(3)34(14)51-39(44)19/h21-50H,1-20H3/t21?,22-,23?,24?,25?,26?,27?,28?,29?,30+,31+,32?,33?,34-,35?,36?,37?,38?,39?,40?,41-,42?,43?,44-,45-,46-,47-,48-,49-,50-/m0/s1.
What are the key properties of (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane?
(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane has a molecular weight of 851.26 g/mol, XLogP of 9.99, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane is sourced from PubChem (CID 134973881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).