7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

C22H21Br4N3O8 — CID 163110733

IUPAC7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
SMILESCOC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCC(O)c1cc(Br)c(OC[C@@H]3COC(=O)N3)c(Br)c1)=NO2
InChIInChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-15(30)9-2-11(23)17(12(24)3-9)35-7-10-8-36-21(33)28-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)/t10-,15?,19?,22?/m1/s1
InChIKeyLFFNXWKCXJPCDU-ORDWLBBDSA-N
MW775.04 g/mol
LogP3.27
Rot. Bonds8

About 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (PubChem CID 163110733) has the molecular formula C22H21Br4N3O8 and a molecular weight of 775.04 g/mol. Its IUPAC name is 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.

Molecular Properties

Compound Name7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
PubChem CID163110733
Molecular FormulaC22H21Br4N3O8
Molecular Weight775.04 g/mol
Exact Mass770.81
IUPAC Name7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
SMILESCOC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCC(O)c1cc(Br)c(OC[C@@H]3COC(=O)N3)c(Br)c1)=NO2
InChIInChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-15(30)9-2-11(23)17(12(24)3-9)35-7-10-8-36-21(33)28-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)/t10-,15?,19?,22?/m1/s1
InChIKeyLFFNXWKCXJPCDU-ORDWLBBDSA-N
XLogP3.27
TPSA147.94 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500775.04
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?
The IUPAC name of 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (CID 163110733) is 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
What is the SMILES notation for 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?
The canonical SMILES for 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCC(O)c1cc(Br)c(OC[C@@H]3COC(=O)N3)c(Br)c1)=NO2.
What is the InChIKey of 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?
The InChIKey is LFFNXWKCXJPCDU-ORDWLBBDSA-N. The full InChI is InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-15(30)9-2-11(23)17(12(24)3-9)35-7-10-8-36-21(33)28-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)/t10-,15?,19?,22?/m1/s1.
What are the key properties of 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?
7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide has a molecular weight of 775.04 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-N-[2-[3,5-dibromo-4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is sourced from PubChem (CID 163110733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).