Home Carbonyls L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-

L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-

CAS No.:
131287-39-3
Catalog Number:
AG000VUX
Molecular Formula:
C33H37N3O13
Molecular Weight:
683.6592
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Product Description
Catalog Number:
AG000VUX
Chemical Name:
L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-
CAS Number:
131287-39-3
Molecular Formula:
C33H37N3O13
Molecular Weight:
683.6592
MDL Number:
MFCD00237079
IUPAC Name:
(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C33H37N3O13/c1-16(37)34-28-30(48-19(4)40)29(47-18(3)39)26(15-45-17(2)38)49-31(28)36-27(41)13-25(32(42)43)35-33(44)46-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,37)(H,35,44)(H,36,41)(H,42,43)/t25-,26+,28+,29+,30+,31+/m0/s1
InChI Key:
QOACISSHGAAMLK-MJCYOTSPSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C)N([C@H](C(=O)O)CC(=O)N)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
683.233g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
683.667g/mol
Monoisotopic Mass:
683.233g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties