N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide

C31H37NO6 — CID 163976922

IUPACN-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1N(C)C(C)=O
InChIInChI=1S/C31H37NO6/c1-23(33)32(2)28-30(37-21-26-17-11-6-12-18-26)29(36-20-25-15-9-5-10-16-25)27(38-31(28)34-3)22-35-19-24-13-7-4-8-14-24/h4-18,27-31H,19-22H2,1-3H3/t27-,28+,29+,30-,31-/m1/s1
InChIKeySUYRCYRYGNPCKZ-GGEKVXJASA-N
MW519.64 g/mol
LogP4.59
Rot. Bonds12

About N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide

N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide (PubChem CID 163976922) has the molecular formula C31H37NO6 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide
PubChem CID163976922
Molecular FormulaC31H37NO6
Molecular Weight519.64 g/mol
Exact Mass519.26
IUPAC NameN-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1N(C)C(C)=O
InChIInChI=1S/C31H37NO6/c1-23(33)32(2)28-30(37-21-26-17-11-6-12-18-26)29(36-20-25-15-9-5-10-16-25)27(38-31(28)34-3)22-35-19-24-13-7-4-8-14-24/h4-18,27-31H,19-22H2,1-3H3/t27-,28+,29+,30-,31-/m1/s1
InChIKeySUYRCYRYGNPCKZ-GGEKVXJASA-N
XLogP4.59
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide 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

[(2S,3R,4R,5S,6S,7R)-2-methoxy-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] acetate
CID 101497440
[(2S,3R,4S,5R,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
CID 10605858
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 25193340
N-benzyl-N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122386137
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 14332252
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide?
The IUPAC name of N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide (CID 163976922) is N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide is CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1N(C)C(C)=O.
What is the InChIKey of N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide?
The InChIKey is SUYRCYRYGNPCKZ-GGEKVXJASA-N. The full InChI is InChI=1S/C31H37NO6/c1-23(33)32(2)28-30(37-21-26-17-11-6-12-18-26)29(36-20-25-15-9-5-10-16-25)27(38-31(28)34-3)22-35-19-24-13-7-4-8-14-24/h4-18,27-31H,19-22H2,1-3H3/t27-,28+,29+,30-,31-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide?
N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide has a molecular weight of 519.64 g/mol, XLogP of 4.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-N-methylacetamide is sourced from PubChem (CID 163976922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).