Home Aminos O-(D-Glucopyranosylidene)amino N-Phenylcarbamate

O-(D-Glucopyranosylidene)amino N-Phenylcarbamate

CAS No.:
104012-84-2
Catalog Number:
AG00855R
Molecular Formula:
C13H16N2O7
Molecular Weight:
312.2753
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Product Description
Catalog Number:
AG00855R
Chemical Name:
O-(D-Glucopyranosylidene)amino N-Phenylcarbamate
CAS Number:
104012-84-2
Molecular Formula:
C13H16N2O7
Molecular Weight:
312.2753
MDL Number:
MFCD00145030
IUPAC Name:
[(Z)-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
InChI:
InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)/b15-12-/t8-,9-,10+,11-/m1/s1
InChI Key:
GPIOBIZYEXDBSE-ABMBDTQUSA-N
SMILES:
OC[C@H]1OC(=NOC(=O)Nc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
1  
Exact Mass:
312.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
312.278g/mol
Monoisotopic Mass:
312.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties