[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane

C16H29NO6 — CID 160503920

IUPAC[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
SMILESCC.CC(=O)NC1C(C)C(OC(C)=O)C(COC(C)=O)O[C@H]1C
InChIInChI=1S/C14H23NO6.C2H6/c1-7-13(15-9(3)16)8(2)20-12(6-19-10(4)17)14(7)21-11(5)18;1-2/h7-8,12-14H,6H2,1-5H3,(H,15,16);1-2H3/t7?,8-,12?,13?,14?;/m0./s1
InChIKeyQSDICHBQXNOOPI-BUEGCVGKSA-N
MW331.41 g/mol
LogP1.44
Rot. Bonds4

About [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane

[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane (PubChem CID 160503920) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane.

Molecular Properties

Compound Name[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
PubChem CID160503920
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Name[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
SMILESCC.CC(=O)NC1C(C)C(OC(C)=O)C(COC(C)=O)O[C@H]1C
InChIInChI=1S/C14H23NO6.C2H6/c1-7-13(15-9(3)16)8(2)20-12(6-19-10(4)17)14(7)21-11(5)18;1-2/h7-8,12-14H,6H2,1-5H3,(H,15,16);1-2H3/t7?,8-,12?,13?,14?;/m0./s1
InChIKeyQSDICHBQXNOOPI-BUEGCVGKSA-N
XLogP1.44
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(3S,5S,6R)-5-acetamido-6-acetyloxy-4-methyl-3-(trioxidanyl)oxan-2-yl]methyl acetate
CID 130375689
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
CID 163977014
(4-acetamido-3,5,6-triacetyloxyoxan-2-yl)methyl acetate
CID 548258
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4S,5S,6R)-4-acetamido-3,5-diacetyloxy-6-bromooxan-2-yl]methyl acetate
CID 54215769
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295
[(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903143
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(3S,4R,5R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
CID 178100528

Frequently Asked Questions

What is the IUPAC name of [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane?
The IUPAC name of [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane (CID 160503920) is [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane.
What is the SMILES notation for [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane?
The canonical SMILES for [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane is CC.CC(=O)NC1C(C)C(OC(C)=O)C(COC(C)=O)O[C@H]1C.
What is the InChIKey of [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane?
The InChIKey is QSDICHBQXNOOPI-BUEGCVGKSA-N. The full InChI is InChI=1S/C14H23NO6.C2H6/c1-7-13(15-9(3)16)8(2)20-12(6-19-10(4)17)14(7)21-11(5)18;1-2/h7-8,12-14H,6H2,1-5H3,(H,15,16);1-2H3/t7?,8-,12?,13?,14?;/m0./s1.
What are the key properties of [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane?
[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane has a molecular weight of 331.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane is sourced from PubChem (CID 160503920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).