(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane

C26H48O5 — CID 70880393

IUPAC(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane
SMILESCC1[C@@H](C)[C@](C)(OC[C@@]2(OC[C@@]3(C)OC[C@@H](C)C(C)[C@@H]3C)O[C@H](C)C(C)[C@H]2C)O[C@@H]1C
InChIInChI=1S/C26H48O5/c1-15-12-27-24(10,19(5)16(15)2)13-29-26(21(7)18(4)23(9)31-26)14-28-25(11)20(6)17(3)22(8)30-25/h15-23H,12-14H2,1-11H3/t15-,16?,17?,18?,19+,20-,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyITVIGZKEZXQNEZ-BPZKGOGKSA-N
MW440.67 g/mol
LogP5.51
Rot. Bonds6

About (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane

(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane (PubChem CID 70880393) has the molecular formula C26H48O5 and a molecular weight of 440.67 g/mol. Its IUPAC name is (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane
PubChem CID70880393
Molecular FormulaC26H48O5
Molecular Weight440.67 g/mol
Exact Mass440.35
IUPAC Name(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane
SMILESCC1[C@@H](C)[C@](C)(OC[C@@]2(OC[C@@]3(C)OC[C@@H](C)C(C)[C@@H]3C)O[C@H](C)C(C)[C@H]2C)O[C@@H]1C
InChIInChI=1S/C26H48O5/c1-15-12-27-24(10,19(5)16(15)2)13-29-26(21(7)18(4)23(9)31-26)14-28-25(11)20(6)17(3)22(8)30-25/h15-23H,12-14H2,1-11H3/t15-,16?,17?,18?,19+,20-,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyITVIGZKEZXQNEZ-BPZKGOGKSA-N
XLogP5.51
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane?
The IUPAC name of (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane (CID 70880393) is (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane.
What is the SMILES notation for (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane?
The canonical SMILES for (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane is CC1[C@@H](C)[C@](C)(OC[C@@]2(OC[C@@]3(C)OC[C@@H](C)C(C)[C@@H]3C)O[C@H](C)C(C)[C@H]2C)O[C@@H]1C.
What is the InChIKey of (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane?
The InChIKey is ITVIGZKEZXQNEZ-BPZKGOGKSA-N. The full InChI is InChI=1S/C26H48O5/c1-15-12-27-24(10,19(5)16(15)2)13-29-26(21(7)18(4)23(9)31-26)14-28-25(11)20(6)17(3)22(8)30-25/h15-23H,12-14H2,1-11H3/t15-,16?,17?,18?,19+,20-,21-,22-,23-,24-,25-,26-/m1/s1.
What are the key properties of (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane?
(2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane has a molecular weight of 440.67 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2,3,4,5-tetramethyl-2-[[(2S,3R,5R)-3,4,5-trimethyl-2-[[(2R,3R,5R)-2,3,4,5-tetramethyloxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 70880393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).