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(4R)-4-({[(3aR,8aR,9aR)-8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one
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ChemBase ID:
195652
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Molecular Formular:
C18H26N2O4
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Molecular Mass:
334.41004
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Monoisotopic Mass:
334.18925732
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SMILES and InChIs
SMILES:
C1(C(=O)O[C@H]2[C@@H]1CC1[C@@](C2)(CCCC1=C)C)CN[C@H]1C(=O)NOC1
Canonical SMILES:
O=C1O[C@H]2[C@@H](C1CN[C@@H]1CONC1=O)CC1[C@](C2)(C)CCCC1=C
InChI:
InChI=1S/C18H26N2O4/c1-10-4-3-5-18(2)7-15-11(6-13(10)18)12(17(22)24-15)8-19-14-9-23-20-16(14)21/h11-15,19H,1,3-9H2,2H3,(H,20,21)/t11-,12?,13?,14-,15-,18-/m1/s1
InChIKey:
IFKMDEXLRALQAE-ZUCGALNOSA-N
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Cite this record
CBID:195652 http://www.chembase.cn/molecule-195652.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4R)-4-({[(3aR,8aR,9aR)-8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one
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IUPAC Traditional name
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(4R)-4-({[(3aR,8aR,9aR)-8a-methyl-5-methylidene-2-oxo-octahydro-3H-naphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.9332118
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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0.25235826
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LogD (pH = 7.4)
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0.27587882
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Log P
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0.26057896
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Molar Refractivity
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86.5308 cm3
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Polarizability
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34.951916 Å3
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Polar Surface Area
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76.66 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Rare Derivatives of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent