[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate

C10H18O6 — CID 100987010

IUPAC[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate
SMILES[2H][C@@]1(OC)[C@@H](CCO)O[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C10H18O6/c1-6(12)15-9-8(13-2)7(4-5-11)16-10(9)14-3/h7-11H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1/i8D
InChIKeyWUCIOSHCNWUPAI-JUHLEUMUSA-N
MW235.25 g/mol
LogP-0.31
Rot. Bonds5

About [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate

[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate (PubChem CID 100987010) has the molecular formula C10H18O6 and a molecular weight of 235.25 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate
PubChem CID100987010
Molecular FormulaC10H18O6
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate
SMILES[2H][C@@]1(OC)[C@@H](CCO)O[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C10H18O6/c1-6(12)15-9-8(13-2)7(4-5-11)16-10(9)14-3/h7-11H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1/i8D
InChIKeyWUCIOSHCNWUPAI-JUHLEUMUSA-N
XLogP-0.31
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] acetate
CID 10914184
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl] acetate
CID 54161603
[(2R,3R,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate
CID 11140408
[(2R,3R,4S,5S,6S)-5-acetyloxy-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-yl] acetate
CID 10912771
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[(3S,4S,6S)-4,5-diacetyloxy-2-(bromomethyl)-6-methoxyoxan-3-yl] acetate
CID 90911922
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-butyl-6-methoxyoxan-3-yl] acetate
CID 102301482
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-2-butyl-6-methoxyoxan-3-yl] acetate
CID 10914962
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate (CID 100987010) is [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate is [2H][C@@]1(OC)[C@@H](CCO)O[C@@H](OC)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate?
The InChIKey is WUCIOSHCNWUPAI-JUHLEUMUSA-N. The full InChI is InChI=1S/C10H18O6/c1-6(12)15-9-8(13-2)7(4-5-11)16-10(9)14-3/h7-11H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1/i8D.
What are the key properties of [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate?
[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate has a molecular weight of 235.25 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate is sourced from PubChem (CID 100987010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).