[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate

C16H25NO8 — CID 163977014

IUPAC[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
SMILESCC(=O)N[C@H]1C(COCC=O)O[C@H](COC(C)=O)C(OC(C)=O)[C@@H]1C
InChIInChI=1S/C16H25NO8/c1-9-15(17-10(2)19)13(7-22-6-5-18)25-14(8-23-11(3)20)16(9)24-12(4)21/h5,9,13-16H,6-8H2,1-4H3,(H,17,19)/t9-,13?,14-,15-,16?/m1/s1
InChIKeySVBDANCSNAXEQK-IFGUQGGKSA-N
MW359.38 g/mol
LogP-0.40
Rot. Bonds8

About [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate

[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate (PubChem CID 163977014) has the molecular formula C16H25NO8 and a molecular weight of 359.38 g/mol. Its IUPAC name is [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
PubChem CID163977014
Molecular FormulaC16H25NO8
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
SMILESCC(=O)N[C@H]1C(COCC=O)O[C@H](COC(C)=O)C(OC(C)=O)[C@@H]1C
InChIInChI=1S/C16H25NO8/c1-9-15(17-10(2)19)13(7-22-6-5-18)25-14(8-23-11(3)20)16(9)24-12(4)21/h5,9,13-16H,6-8H2,1-4H3,(H,17,19)/t9-,13?,14-,15-,16?/m1/s1
InChIKeySVBDANCSNAXEQK-IFGUQGGKSA-N
XLogP-0.40
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
CID 160503920
[(3S,5S,6R)-5-acetamido-6-acetyloxy-4-methyl-3-(trioxidanyl)oxan-2-yl]methyl acetate
CID 130375689
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(2R,3R,4R,5S,6S)-5-acetamido-3,4-diacetyloxy-6-(2-methylpropyl)oxan-2-yl]methyl acetate
CID 56968124
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
(4-acetamido-3,5,6-triacetyloxyoxan-2-yl)methyl acetate
CID 548258
[(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
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(3R,4R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
CID 166604485

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate (CID 163977014) is [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate is CC(=O)N[C@H]1C(COCC=O)O[C@H](COC(C)=O)C(OC(C)=O)[C@@H]1C.
What is the InChIKey of [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate?
The InChIKey is SVBDANCSNAXEQK-IFGUQGGKSA-N. The full InChI is InChI=1S/C16H25NO8/c1-9-15(17-10(2)19)13(7-22-6-5-18)25-14(8-23-11(3)20)16(9)24-12(4)21/h5,9,13-16H,6-8H2,1-4H3,(H,17,19)/t9-,13?,14-,15-,16?/m1/s1.
What are the key properties of [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate?
[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate has a molecular weight of 359.38 g/mol, XLogP of -0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 163977014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).