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

C34H62O7 — CID 134973879

IUPAC(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(O[C@@H]3O[C@H](C)[C@@H](C)C(C)C3C)[C@H](C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O7/c1-15-17(3)24(10)36-32(19(15)5)39-29-21(7)27(13)38-34(23(29)9)40-30-22(8)26(12)35-28(14)31(30)41-33-20(6)16(2)18(4)25(11)37-33/h15-34H,1-14H3/t15?,16?,17-,18-,19?,20?,21+,22+,23?,24?,25+,26?,27?,28-,29?,30?,31?,32-,33-,34-/m0/s1
InChIKeySFNSJPKDQGBNKA-PKTSQYANSA-N
MW582.86 g/mol
LogP6.91
Rot. Bonds6

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

(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane (PubChem CID 134973879) has the molecular formula C34H62O7 and a molecular weight of 582.86 g/mol. Its IUPAC name is (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane
PubChem CID134973879
Molecular FormulaC34H62O7
Molecular Weight582.86 g/mol
Exact Mass582.45
IUPAC Name(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(O[C@@H]3O[C@H](C)[C@@H](C)C(C)C3C)[C@H](C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O7/c1-15-17(3)24(10)36-32(19(15)5)39-29-21(7)27(13)38-34(23(29)9)40-30-22(8)26(12)35-28(14)31(30)41-33-20(6)16(2)18(4)25(11)37-33/h15-34H,1-14H3/t15?,16?,17-,18-,19?,20?,21+,22+,23?,24?,25+,26?,27?,28-,29?,30?,31?,32-,33-,34-/m0/s1
InChIKeySFNSJPKDQGBNKA-PKTSQYANSA-N
XLogP6.91
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.86
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(3S,4S,6R)-2-ethyl-5-[(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-fluoro-3,4-dimethyloxane
CID 121288483
(2S,3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288486
(3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288490
(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane
CID 10885760
(3R,6S)-2-(hydroxymethyl)-6-[(3S,6S)-5-[(2S,4S,5S)-3-hydroxy-4,5,6-trimethyloxan-2-yl]oxy-2-methoxy-6-methyl-3-[(3R,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 134864064
(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane
CID 134973459
(3S,6R)-3-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,5-dimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-4-ol
CID 134973460
(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
CID 134973462
(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(2S,5R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
CID 134973515
(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane
CID 134973828
(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane
CID 134973880
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane?
The IUPAC name of (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane (CID 134973879) is (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane.
What is the SMILES notation for (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane?
The canonical SMILES for (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane is CC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(O[C@@H]3O[C@H](C)[C@@H](C)C(C)C3C)[C@H](C)OC(C)[C@H]2C)OC(C)[C@H]1C.
What is the InChIKey of (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane?
The InChIKey is SFNSJPKDQGBNKA-PKTSQYANSA-N. The full InChI is InChI=1S/C34H62O7/c1-15-17(3)24(10)36-32(19(15)5)39-29-21(7)27(13)38-34(23(29)9)40-30-22(8)26(12)35-28(14)31(30)41-33-20(6)16(2)18(4)25(11)37-33/h15-34H,1-14H3/t15?,16?,17-,18-,19?,20?,21+,22+,23?,24?,25+,26?,27?,28-,29?,30?,31?,32-,33-,34-/m0/s1.
What are the key properties of (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane?
(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane has a molecular weight of 582.86 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane is sourced from PubChem (CID 134973879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).