methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C34H41NO8 — CID 73306640

IUPACmethyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H41NO8/c1-34(2,3)43-33(37)35-28(32(36)38-4)30-31(41-22-26-18-12-7-13-19-26)29(40-21-25-16-10-6-11-17-25)27(42-30)23-39-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3,(H,35,37)
InChIKeyUVHUHIXLKJHJEJ-UHFFFAOYSA-N
MW591.70 g/mol
LogP5.21
Rot. Bonds13

About methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 73306640) has the molecular formula C34H41NO8 and a molecular weight of 591.70 g/mol. Its IUPAC name is methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID73306640
Molecular FormulaC34H41NO8
Molecular Weight591.70 g/mol
Exact Mass591.28
IUPAC Namemethyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H41NO8/c1-34(2,3)43-33(37)35-28(32(36)38-4)30-31(41-22-26-18-12-7-13-19-26)29(40-21-25-16-10-6-11-17-25)27(42-30)23-39-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3,(H,35,37)
InChIKeyUVHUHIXLKJHJEJ-UHFFFAOYSA-N
XLogP5.21
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.70
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 76328380
Methyl-6-o-acetyl-3-o-phenylmethyl-2-[[(phenylmethoxy)carbonyl]amino]-2-deoxy-4-o-(2-o-acetyl-3-o-phenylmethyl-6-methyl-alpha-l-idop
CID 11828815
benzyl N-[(5S)-6-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamate
CID 76313929
benzyl N-[(2S)-1-[[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 76335660
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 25140207
tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 76332053
tert-butyl N-[(2S,3S)-5-[[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]carbamate
CID 127034137
[(3R,4S,5S)-2-acetyloxy-5-[(1S)-2-(dodecylamino)-2-oxo-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 171343736
[(2R,3R,4S,5S)-2-azido-5-[(1S)-2-(dodecylamino)-2-oxo-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 171344880
[(2S,3R,4S,5S)-2-azido-5-[(1S)-2-(dodecylamino)-2-oxo-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 171353097
methyl (2S)-2-[[(2R)-2-[(4R,5R)-5-[(1R)-2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-1-benzyloxy-2-oxo-ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-benzyloxy-acetyl]amino]-3-phenyl-propanoate
CID 470103
Obbfotgarijsgx-hmpzbhlvsa-
CID 10530324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 73306640) is methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is UVHUHIXLKJHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41NO8/c1-34(2,3)43-33(37)35-28(32(36)38-4)30-31(41-22-26-18-12-7-13-19-26)29(40-21-25-16-10-6-11-17-25)27(42-30)23-39-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3,(H,35,37).
What are the key properties of methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 591.70 g/mol, XLogP of 5.21, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 73306640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).