benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C51H57NO11 — CID 134969787

IUPACbenzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(C(O)C(O)C(=O)C[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C51H57NO11/c1-51(2)52(50(56)61-33-40-26-16-7-17-27-40)41(34-62-51)45(54)46(55)42(53)28-43-47(58-30-37-20-10-4-11-21-37)49(60-32-39-24-14-6-15-25-39)48(59-31-38-22-12-5-13-23-38)44(63-43)35-57-29-36-18-8-3-9-19-36/h3-27,41,43-49,54-55H,28-35H2,1-2H3/t41?,43-,44?,45?,46?,47?,48-,49?/m1/s1
InChIKeySFNOBAJBDJUHIN-BYFLRLBRSA-N
MW860.01 g/mol
LogP7.18
Rot. Bonds20

About benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134969787) has the molecular formula C51H57NO11 and a molecular weight of 860.01 g/mol. Its IUPAC name is benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134969787
Molecular FormulaC51H57NO11
Molecular Weight860.01 g/mol
Exact Mass859.39
IUPAC Namebenzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(C(O)C(O)C(=O)C[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C51H57NO11/c1-51(2)52(50(56)61-33-40-26-16-7-17-27-40)41(34-62-51)45(54)46(55)42(53)28-43-47(58-30-37-20-10-4-11-21-37)49(60-32-39-24-14-6-15-25-39)48(59-31-38-22-12-5-13-23-38)44(63-43)35-57-29-36-18-8-3-9-19-36/h3-27,41,43-49,54-55H,28-35H2,1-2H3/t41?,43-,44?,45?,46?,47?,48-,49?/m1/s1
InChIKeySFNOBAJBDJUHIN-BYFLRLBRSA-N
XLogP7.18
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.01
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3,4-dihydroxy-pentanoyl}-methyl-amino)-3-phenyl-propionic acid
CID 44367226
methyl 2-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)-methylamino]-6-oxo-2,5-bis(phenylmethoxy)hexanoyl]-methylamino]-3-phenylpropanoate
CID 44367227
6-Deoxy-6-(butyl((phenylmethoxy)carbonyl)amino)-1,3,4,5-tetrakis-O-(phenylmethyl)-L-tagatose
CID 165341056
(2R,3S,4R,5R)-5-hydroxy-1-(4-methylpiperazin-1-yl)-2,3,4,6-tetrakis(phenylmethoxy)hexan-1-one
CID 134948877
(2-hydroxy-2,2-diphenylacetyl) (2R,3R,4R)-2-(fluoromethyl)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxypyrrolidine-1-carboxylate
CID 139999595
(2-hydroxy-2,2-diphenylacetyl) (2R,3R,4R)-4-fluoro-3-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 139999599
(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
benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11164423
(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
Methyl (2r,3s,4s,5r)-3-phenyl-3-(2,3,4,6-tetrakis(benzyloxy)-5-hydroxy-hexanoylamino)propionate
CID 129705889

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134969787) is benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OCC(C(O)C(O)C(=O)C[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SFNOBAJBDJUHIN-BYFLRLBRSA-N. The full InChI is InChI=1S/C51H57NO11/c1-51(2)52(50(56)61-33-40-26-16-7-17-27-40)41(34-62-51)45(54)46(55)42(53)28-43-47(58-30-37-20-10-4-11-21-37)49(60-32-39-24-14-6-15-25-39)48(59-31-38-22-12-5-13-23-38)44(63-43)35-57-29-36-18-8-3-9-19-36/h3-27,41,43-49,54-55H,28-35H2,1-2H3/t41?,43-,44?,45?,46?,47?,48-,49?/m1/s1.
What are the key properties of benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 860.01 g/mol, XLogP of 7.18, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134969787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).