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4-[(3aR,5S,6S,6aR)-6-azido-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
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ChemBase ID:
160993
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Molecular Formular:
C12H19N3O5
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Molecular Mass:
285.29636
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Monoisotopic Mass:
285.13247072
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SMILES and InChIs
SMILES:
[C@@H]12[C@@H]([C@H](O[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C)N=[N+]=[N-]
Canonical SMILES:
[N-]=[N+]=N[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C
InChI:
InChI=1S/C12H19N3O5/c1-11(2)16-5-6(18-11)8-7(14-15-13)9-10(17-8)20-12(3,4)19-9/h6-10H,5H2,1-4H3/t6?,7-,8+,9+,10+/m0/s1
InChIKey:
UZVCUNUCGITLER-DEMCRKGTSA-N
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Cite this record
CBID:160993 http://www.chembase.cn/molecule-160993.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(3aR,5S,6S,6aR)-6-azido-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
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IUPAC Traditional name
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4-[(3aR,5S,6S,6aR)-6-azido-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
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Synonyms
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3-Azido-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-α-D-glucofuranose
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3-Azido-3-deoxy-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.434619
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H Acceptors
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7
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H Donor
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0
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LogD (pH = 5.5)
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1.1786088
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LogD (pH = 7.4)
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1.1786088
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Log P
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1.2926544
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Molar Refractivity
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66.6299 cm3
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Polarizability
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26.564737 Å3
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Polar Surface Area
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75.58 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Apperance
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Yellow Liquid
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Show
data source
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Boiling Point
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106°C
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent