methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate

C34H32N6O8 — CID 166633314

IUPACmethyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate
SMILESCOC(=O)[C@H](CO)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](CO)C(=O)OC)ccc2ccccc12
InChIInChI=1S/C34H32N6O8/c1-45-33(43)27(17-41)39-23(15-35-37-39)19-47-29-13-11-21-7-3-5-9-25(21)31(29)32-26-10-6-4-8-22(26)12-14-30(32)48-20-24-16-36-38-40(24)28(18-42)34(44)46-2/h3-16,27-28,41-42H,17-20H2,1-2H3/t27-,28-/m0/s1
InChIKeyWGCTWSQZCNOOPY-NSOVKSMOSA-N
MW652.66 g/mol
LogP3.41
Rot. Bonds13

About methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate

methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate (PubChem CID 166633314) has the molecular formula C34H32N6O8 and a molecular weight of 652.66 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate
PubChem CID166633314
Molecular FormulaC34H32N6O8
Molecular Weight652.66 g/mol
Exact Mass652.23
IUPAC Namemethyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate
SMILESCOC(=O)[C@H](CO)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](CO)C(=O)OC)ccc2ccccc12
InChIInChI=1S/C34H32N6O8/c1-45-33(43)27(17-41)39-23(15-35-37-39)19-47-29-13-11-21-7-3-5-9-25(21)31(29)32-26-10-6-4-8-22(26)12-14-30(32)48-20-24-16-36-38-40(24)28(18-42)34(44)46-2/h3-16,27-28,41-42H,17-20H2,1-2H3/t27-,28-/m0/s1
InChIKeyWGCTWSQZCNOOPY-NSOVKSMOSA-N
XLogP3.41
TPSA172.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.66
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate (CID 166633314) is methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate is COC(=O)[C@H](CO)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](CO)C(=O)OC)ccc2ccccc12.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate?
The InChIKey is WGCTWSQZCNOOPY-NSOVKSMOSA-N. The full InChI is InChI=1S/C34H32N6O8/c1-45-33(43)27(17-41)39-23(15-35-37-39)19-47-29-13-11-21-7-3-5-9-25(21)31(29)32-26-10-6-4-8-22(26)12-14-30(32)48-20-24-16-36-38-40(24)28(18-42)34(44)46-2/h3-16,27-28,41-42H,17-20H2,1-2H3/t27-,28-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate?
methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate has a molecular weight of 652.66 g/mol, XLogP of 3.41, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[5-[[1-[2-[[3-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]triazol-1-yl]propanoate is sourced from PubChem (CID 166633314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).