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(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
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ChemBase ID:
173326
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Molecular Formular:
C15H21N3O4
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Molecular Mass:
307.34494
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Monoisotopic Mass:
307.15320617
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SMILES and InChIs
SMILES:
O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1C)N=[N+]=[N-])OCc1ccccc1)OC)OC
Canonical SMILES:
CO[C@@H]1[C@@H](OC)O[C@H]([C@H]([C@@H]1OCc1ccccc1)N=[N+]=[N-])C
InChI:
InChI=1S/C15H21N3O4/c1-10-12(17-18-16)13(14(19-2)15(20-3)22-10)21-9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3/t10-,12-,13+,14-,15+/m1/s1
InChIKey:
NYGOWLVAGJFTAB-LFHLZQBKSA-N
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Cite this record
CBID:173326 http://www.chembase.cn/molecule-173326.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
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IUPAC Traditional name
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(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
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Synonyms
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Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-(phenylmethyl)-α-D-glucopyranoside
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Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-benzyl-α-D-glucopyranoside
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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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15.958962
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H Acceptors
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6
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H Donor
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0
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LogD (pH = 5.5)
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2.474522
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LogD (pH = 7.4)
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2.474522
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Log P
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2.5885677
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Molar Refractivity
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79.5384 cm3
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Polarizability
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31.246092 Å3
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Polar Surface Area
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66.35 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent