[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate

C11H20O7 — CID 175639864

IUPAC[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
SMILES[2H]CO[C@H]([C@@H](O)COC(C)=O)[C@@H](COC(C)=O)OC[2H]
InChIInChI=1S/C11H20O7/c1-7(12)17-5-9(14)11(16-4)10(15-3)6-18-8(2)13/h9-11,14H,5-6H2,1-4H3/t9-,10+,11+/m0/s1/i3D,4D
InChIKeyGDKYGOUYMIQPQP-MKDHYARWSA-N
MW266.29 g/mol
LogP-0.50
Rot. Bonds10

About [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate

[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate (PubChem CID 175639864) has the molecular formula C11H20O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
PubChem CID175639864
Molecular FormulaC11H20O7
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Name[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
SMILES[2H]CO[C@H]([C@@H](O)COC(C)=O)[C@@H](COC(C)=O)OC[2H]
InChIInChI=1S/C11H20O7/c1-7(12)17-5-9(14)11(16-4)10(15-3)6-18-8(2)13/h9-11,14H,5-6H2,1-4H3/t9-,10+,11+/m0/s1/i3D,4D
InChIKeyGDKYGOUYMIQPQP-MKDHYARWSA-N
XLogP-0.50
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate?
The IUPAC name of [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate (CID 175639864) is [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate.
What is the SMILES notation for [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate?
The canonical SMILES for [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate is [2H]CO[C@H]([C@@H](O)COC(C)=O)[C@@H](COC(C)=O)OC[2H].
What is the InChIKey of [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate?
The InChIKey is GDKYGOUYMIQPQP-MKDHYARWSA-N. The full InChI is InChI=1S/C11H20O7/c1-7(12)17-5-9(14)11(16-4)10(15-3)6-18-8(2)13/h9-11,14H,5-6H2,1-4H3/t9-,10+,11+/m0/s1/i3D,4D.
What are the key properties of [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate?
[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate has a molecular weight of 266.29 g/mol, XLogP of -0.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate is sourced from PubChem (CID 175639864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).