ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate

C26H29NO7 — CID 167132864

IUPACethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate
SMILESCCOC(=O)c1occ([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O)c1N
InChIInChI=1S/C26H29NO7/c1-2-31-26(29)25-21(27)19(15-33-25)23-22(28)24(32-14-18-11-7-4-8-12-18)20(34-23)16-30-13-17-9-5-3-6-10-17/h3-12,15,20,22-24,28H,2,13-14,16,27H2,1H3/t20-,22+,23+,24-/m1/s1
InChIKeyREOOECJXKUMAQZ-AYVPJYCDSA-N
MW467.52 g/mol
LogP3.64
Rot. Bonds10

About ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate

ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate (PubChem CID 167132864) has the molecular formula C26H29NO7 and a molecular weight of 467.52 g/mol. Its IUPAC name is ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate
PubChem CID167132864
Molecular FormulaC26H29NO7
Molecular Weight467.52 g/mol
Exact Mass467.19
IUPAC Nameethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate
SMILESCCOC(=O)c1occ([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O)c1N
InChIInChI=1S/C26H29NO7/c1-2-31-26(29)25-21(27)19(15-33-25)23-22(28)24(32-14-18-11-7-4-8-12-18)20(34-23)16-30-13-17-9-5-3-6-10-17/h3-12,15,20,22-24,28H,2,13-14,16,27H2,1H3/t20-,22+,23+,24-/m1/s1
InChIKeyREOOECJXKUMAQZ-AYVPJYCDSA-N
XLogP3.64
TPSA113.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-amino-4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carbothioamide
CID 87085624
ethyl 2,2-difluoro-2-[(2S,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102089168
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
diethyl (2R,3R)-2-hydroxy-3-[(2R,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutanedioate
CID 177392717
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
ethyl (2S,3R)-2,3-dihydroxy-5-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentanoate
CID 73056054
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate (CID 167132864) is ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate is CCOC(=O)c1occ([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O)c1N.
What is the InChIKey of ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate?
The InChIKey is REOOECJXKUMAQZ-AYVPJYCDSA-N. The full InChI is InChI=1S/C26H29NO7/c1-2-31-26(29)25-21(27)19(15-33-25)23-22(28)24(32-14-18-11-7-4-8-12-18)20(34-23)16-30-13-17-9-5-3-6-10-17/h3-12,15,20,22-24,28H,2,13-14,16,27H2,1H3/t20-,22+,23+,24-/m1/s1.
What are the key properties of ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate?
ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate has a molecular weight of 467.52 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-[(2S,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carboxylate is sourced from PubChem (CID 167132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).