[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate

C20H29NO8 — CID 171122324

IUPAC[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate
SMILESCCO[C@@H]1C(COCc2ccc(OC)cc2)O[C@@H](O)C(NC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C20H29NO8/c1-5-27-18-16(11-26-10-14-6-8-15(25-4)9-7-14)29-20(24)17(21-12(2)22)19(18)28-13(3)23/h6-9,16-20,24H,5,10-11H2,1-4H3,(H,21,22)/t16?,17?,18-,19+,20-/m1/s1
InChIKeyFXNJWFLQQYIKSI-ZCFHBRKKSA-N
MW411.45 g/mol
LogP0.77
Rot. Bonds9

About [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate

[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate (PubChem CID 171122324) has the molecular formula C20H29NO8 and a molecular weight of 411.45 g/mol. Its IUPAC name is [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate
PubChem CID171122324
Molecular FormulaC20H29NO8
Molecular Weight411.45 g/mol
Exact Mass411.19
IUPAC Name[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate
SMILESCCO[C@@H]1C(COCc2ccc(OC)cc2)O[C@@H](O)C(NC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C20H29NO8/c1-5-27-18-16(11-26-10-14-6-8-15(25-4)9-7-14)29-20(24)17(21-12(2)22)19(18)28-13(3)23/h6-9,16-20,24H,5,10-11H2,1-4H3,(H,21,22)/t16?,17?,18-,19+,20-/m1/s1
InChIKeyFXNJWFLQQYIKSI-ZCFHBRKKSA-N
XLogP0.77
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] 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

N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[(2R,5S)-3-acetamido-2-azido-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate
CID 71133069
tert-butyl 2-[(3S,4R,6R)-5-acetamido-4-acetyloxy-6-azido-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]oxyacetate
CID 89084278
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl] benzoate
CID 171123191
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
[(2R,3S,4R,5S,6R)-5-acetamido-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyloxan-4-yl] acetate
CID 102207326
[(3R,4R,6S)-5-acetamido-6-(4-methoxyphenyl)sulfanyl-2-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl] acetate
CID 58654945
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
[(2S,3S,4S,5R,6S)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 129034510
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
[(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903143

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate?
The IUPAC name of [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate (CID 171122324) is [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate.
What is the SMILES notation for [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate?
The canonical SMILES for [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate is CCO[C@@H]1C(COCc2ccc(OC)cc2)O[C@@H](O)C(NC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate?
The InChIKey is FXNJWFLQQYIKSI-ZCFHBRKKSA-N. The full InChI is InChI=1S/C20H29NO8/c1-5-27-18-16(11-26-10-14-6-8-15(25-4)9-7-14)29-20(24)17(21-12(2)22)19(18)28-13(3)23/h6-9,16-20,24H,5,10-11H2,1-4H3,(H,21,22)/t16?,17?,18-,19+,20-/m1/s1.
What are the key properties of [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate?
[(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate has a molecular weight of 411.45 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-3-acetamido-5-ethoxy-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] acetate is sourced from PubChem (CID 171122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).