(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one

C47H49NO8 — CID 10887177

IUPAC(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C47H49NO8/c49-43(48-40(33-55-47(48)50)28-35-16-6-1-7-17-35)27-26-41-44(52-30-37-20-10-3-11-21-37)46(54-32-39-24-14-5-15-25-39)45(53-31-38-22-12-4-13-23-38)42(56-41)34-51-29-36-18-8-2-9-19-36/h1-25,40-42,44-46H,26-34H2/t40-,41+,42-,44+,45+,46-/m1/s1
InChIKeyFQNHRSUJBSHQSB-PAEWBYFYSA-N
MW755.91 g/mol
LogP8.10
Rot. Bonds18

About (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 10887177) has the molecular formula C47H49NO8 and a molecular weight of 755.91 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID10887177
Molecular FormulaC47H49NO8
Molecular Weight755.91 g/mol
Exact Mass755.35
IUPAC Name(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C47H49NO8/c49-43(48-40(33-55-47(48)50)28-35-16-6-1-7-17-35)27-26-41-44(52-30-37-20-10-3-11-21-37)46(54-32-39-24-14-5-15-25-39)45(53-31-38-22-12-4-13-23-38)42(56-41)34-51-29-36-18-8-2-9-19-36/h1-25,40-42,44-46H,26-34H2/t40-,41+,42-,44+,45+,46-/m1/s1
InChIKeyFQNHRSUJBSHQSB-PAEWBYFYSA-N
XLogP8.10
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.91
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

benzyl 2-[[6-[[2-fluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetyl]amino]-2-methylhexanoyl]amino]propanoate
CID 58018259
benzyl 2-[[6-[[2-fluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate
CID 89120711
(4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 10952982
(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 10963828
(4R)-3-[(2S,3S)-2-azido-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 11061826
(4S)-4-benzyl-3-[(2S,3S,4S,5S,6R,7S,8S)-3-hydroxy-4-methoxy-2,6,8-trimethyl-5,7,9-tris(phenylmethoxy)nonanoyl]-1,3-oxazolidin-2-one
CID 11556719
dibenzyl (2S,3R,4R,5S)-3,4,5-tris(benzyloxy)piperidine-1,2-dicarboxylate
CID 126961871
(2S,3R,4R,5S)-3,4,5-tris(benzyloxy)-1-((benzyloxy)carbonyl)piperidine-2-carboxylic acid
CID 126961874
(2R,3R,4R,5R,6S)-3,4-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethyl)-1-azabicyclo[3.2.0]heptan-7-one
CID 134836477
2-O-methyl 1-O-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 134837799
methyl (1S,3R,5S,8R)-3-(acetyloxymethyl)-2-benzyl-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate
CID 134865067
methyl (1S,3S,5S,8R)-3-(acetyloxymethyl)-2-benzyl-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate
CID 134865150

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one (CID 10887177) is (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one is O=C(CC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FQNHRSUJBSHQSB-PAEWBYFYSA-N. The full InChI is InChI=1S/C47H49NO8/c49-43(48-40(33-55-47(48)50)28-35-16-6-1-7-17-35)27-26-41-44(52-30-37-20-10-3-11-21-37)46(54-32-39-24-14-5-15-25-39)45(53-31-38-22-12-4-13-23-38)42(56-41)34-51-29-36-18-8-2-9-19-36/h1-25,40-42,44-46H,26-34H2/t40-,41+,42-,44+,45+,46-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 755.91 g/mol, XLogP of 8.10, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10887177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).