[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate

C13H23NO6 — CID 22216009

IUPAC[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate
SMILESCOC1O[C@H](C)[C@H](OC)[C@H](OC(C)=O)[C@H]1N(C)C(C)=O
InChIInChI=1S/C13H23NO6/c1-7-11(17-5)12(20-9(3)16)10(13(18-6)19-7)14(4)8(2)15/h7,10-13H,1-6H3/t7-,10-,11+,12-,13?/m1/s1
InChIKeyVJSDZSMQMMNZRG-DDSNRORXSA-N
MW289.33 g/mol
LogP0.17
Rot. Bonds4

About [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate

[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate (PubChem CID 22216009) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate
PubChem CID22216009
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate
SMILESCOC1O[C@H](C)[C@H](OC)[C@H](OC(C)=O)[C@H]1N(C)C(C)=O
InChIInChI=1S/C13H23NO6/c1-7-11(17-5)12(20-9(3)16)10(13(18-6)19-7)14(4)8(2)15/h7,10-13H,1-6H3/t7-,10-,11+,12-,13?/m1/s1
InChIKeyVJSDZSMQMMNZRG-DDSNRORXSA-N
XLogP0.17
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate?
The IUPAC name of [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate (CID 22216009) is [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate.
What is the SMILES notation for [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate?
The canonical SMILES for [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate is COC1O[C@H](C)[C@H](OC)[C@H](OC(C)=O)[C@H]1N(C)C(C)=O.
What is the InChIKey of [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate?
The InChIKey is VJSDZSMQMMNZRG-DDSNRORXSA-N. The full InChI is InChI=1S/C13H23NO6/c1-7-11(17-5)12(20-9(3)16)10(13(18-6)19-7)14(4)8(2)15/h7,10-13H,1-6H3/t7-,10-,11+,12-,13?/m1/s1.
What are the key properties of [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate?
[(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate has a molecular weight of 289.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S,6R)-3-[acetyl(methyl)amino]-2,5-dimethoxy-6-methyloxan-4-yl] acetate is sourced from PubChem (CID 22216009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).