(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one

C27H54N2O16 — CID 143282776

IUPAC(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one
SMILESNN1C[C@@H](COC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OC1=O
InChIInChI=1S/C27H54N2O16/c28-29-23-25(45-26(29)31)24-44-27(32)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35-6-5-34-4-3-33-2-1-30/h25,27,30,32H,1-24,28H2/t25-,27?/m0/s1
InChIKeyWMROMAZMLVKJJJ-PVCWFJFTSA-N
MW662.73 g/mol
LogP-1.85
Rot. Bonds36

About (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one

(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 143282776) has the molecular formula C27H54N2O16 and a molecular weight of 662.73 g/mol. Its IUPAC name is (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID143282776
Molecular FormulaC27H54N2O16
Molecular Weight662.73 g/mol
Exact Mass662.35
IUPAC Name(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one
SMILESNN1C[C@@H](COC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OC1=O
InChIInChI=1S/C27H54N2O16/c28-29-23-25(45-26(29)31)24-44-27(32)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35-6-5-34-4-3-33-2-1-30/h25,27,30,32H,1-24,28H2/t25-,27?/m0/s1
InChIKeyWMROMAZMLVKJJJ-PVCWFJFTSA-N
XLogP-1.85
TPSA206.78 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one (CID 143282776) is (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one is NN1C[C@@H](COC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OC1=O.
What is the InChIKey of (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WMROMAZMLVKJJJ-PVCWFJFTSA-N. The full InChI is InChI=1S/C27H54N2O16/c28-29-23-25(45-26(29)31)24-44-27(32)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35-6-5-34-4-3-33-2-1-30/h25,27,30,32H,1-24,28H2/t25-,27?/m0/s1.
What are the key properties of (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one?
(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 662.73 g/mol, XLogP of -1.85, 36 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143282776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).