(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane

C20H38O9 — CID 142763970

IUPAC(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
SMILESCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@H](O[C@H]2O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]2OC)[C@@H]1OC
InChIInChI=1S/C20H38O9/c1-9-25-15-13(21-5)11(3)27-19(17(15)23-7)29-20-18(24-8)16(26-10-2)14(22-6)12(4)28-20/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m0/s1
InChIKeyREFISEHKXYWFHL-WGRVOKSLSA-N
MW422.52 g/mol
LogP1.36
Rot. Bonds10

About (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane

(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane (PubChem CID 142763970) has the molecular formula C20H38O9 and a molecular weight of 422.52 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
PubChem CID142763970
Molecular FormulaC20H38O9
Molecular Weight422.52 g/mol
Exact Mass422.25
IUPAC Name(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
SMILESCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@H](O[C@H]2O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]2OC)[C@@H]1OC
InChIInChI=1S/C20H38O9/c1-9-25-15-13(21-5)11(3)27-19(17(15)23-7)29-20-18(24-8)16(26-10-2)14(22-6)12(4)28-20/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m0/s1
InChIKeyREFISEHKXYWFHL-WGRVOKSLSA-N
XLogP1.36
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane?
The IUPAC name of (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane (CID 142763970) is (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane.
What is the SMILES notation for (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane?
The canonical SMILES for (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane is CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@H](O[C@H]2O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]2OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane?
The InChIKey is REFISEHKXYWFHL-WGRVOKSLSA-N. The full InChI is InChI=1S/C20H38O9/c1-9-25-15-13(21-5)11(3)27-19(17(15)23-7)29-20-18(24-8)16(26-10-2)14(22-6)12(4)28-20/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane?
(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane has a molecular weight of 422.52 g/mol, XLogP of 1.36, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane is sourced from PubChem (CID 142763970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).