200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1137359-47-7
1137359-47-7 | α-D-Glucopyranoside, methyl, 2,3-bis(N-1,3-benzodioxol-5-ylcarbamate) 4-[N-[4-(ethoxycarbonyl)phenyl]carbamate]
CAS No: 1137359-47-7 Catalog No: AG0009HH MDL No:MFCD28133407
Product Description
Catalog Number:
AG0009HH
Chemical Name:
α-D-Glucopyranoside, methyl, 2,3-bis(N-1,3-benzodioxol-5-ylcarbamate) 4-[N-[4-(ethoxycarbonyl)phenyl]carbamate]
CAS Number:
1137359-47-7
Molecular Formula:
C33H33N3O15
Molecular Weight:
711.6262
MDL Number:
MFCD28133407
IUPAC Name:
ethyl 4-[[(2R,3R,4S,5R,6S)-4,5-bis(1,3-benzodioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxycarbonylamino]benzoate
InChI:
InChI=1S/C33H33N3O15/c1-3-43-29(38)17-4-6-18(7-5-17)34-31(39)49-26-25(14-37)48-30(42-2)28(51-33(41)36-20-9-11-22-24(13-20)47-16-45-22)27(26)50-32(40)35-19-8-10-21-23(12-19)46-15-44-21/h4-13,25-28,30,37H,3,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27+,28-,30+/m1/s1
InChI Key:
AAOLIMLEFKWKOY-IXMSMLDRSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1OC(=O)Nc1ccc2c(c1)OCO2)OC(=O)Nc1ccc2c(c1)OCO2)OC
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
711.191g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
711.633g/mol
Monoisotopic Mass:
711.191g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.