ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate

C40H45NO8 — CID 11285317

IUPACethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]2(O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ON1C
InChIInChI=1S/C40H45NO8/c1-3-44-39(42)34-24-40(49-41(34)2)38(47-28-33-22-14-7-15-23-33)37(46-27-32-20-12-6-13-21-32)36(45-26-31-18-10-5-11-19-31)35(48-40)29-43-25-30-16-8-4-9-17-30/h4-23,34-38H,3,24-29H2,1-2H3/t34-,35-,36-,37+,38-,40+/m1/s1
InChIKeyAPPYWJPNEZBRLB-YNBHVFDXSA-N
MW667.80 g/mol
LogP6.25
Rot. Bonds15

About ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate

ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate (PubChem CID 11285317) has the molecular formula C40H45NO8 and a molecular weight of 667.80 g/mol. Its IUPAC name is ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
PubChem CID11285317
Molecular FormulaC40H45NO8
Molecular Weight667.80 g/mol
Exact Mass667.31
IUPAC Nameethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]2(O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ON1C
InChIInChI=1S/C40H45NO8/c1-3-44-39(42)34-24-40(49-41(34)2)38(47-28-33-22-14-7-15-23-33)37(46-27-32-20-12-6-13-21-32)36(45-26-31-18-10-5-11-19-31)35(48-40)29-43-25-30-16-8-4-9-17-30/h4-23,34-38H,3,24-29H2,1-2H3/t34-,35-,36-,37+,38-,40+/m1/s1
InChIKeyAPPYWJPNEZBRLB-YNBHVFDXSA-N
XLogP6.25
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.80
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate 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

benzyl (2S)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-azidoacetate
CID 45482101
benzyl (2R)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-azidoacetate
CID 45482102
2-O-methyl 1-O-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 134837799
ethyl (3S)-3-amino-3-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoate
CID 134864056
ethyl (3R)-3-amino-3-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoate
CID 134864057
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
(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane
CID 134997110
ethyl 2-[3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoylamino]acetate
CID 135018016
methyl 2-acetamido-3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoate
CID 135018309
Methyl 4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018378
methyl (2S,3aS,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018493

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate (CID 11285317) is ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate is CCOC(=O)[C@H]1C[C@]2(O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ON1C.
What is the InChIKey of ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is APPYWJPNEZBRLB-YNBHVFDXSA-N. The full InChI is InChI=1S/C40H45NO8/c1-3-44-39(42)34-24-40(49-41(34)2)38(47-28-33-22-14-7-15-23-33)37(46-27-32-20-12-6-13-21-32)36(45-26-31-18-10-5-11-19-31)35(48-40)29-43-25-30-16-8-4-9-17-30/h4-23,34-38H,3,24-29H2,1-2H3/t34-,35-,36-,37+,38-,40+/m1/s1.
What are the key properties of ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 667.80 g/mol, XLogP of 6.25, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5S,6R,7S,8R,9R)-2-methyl-6,7,8-tris(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 11285317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).