Name: Name:(S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-α-D-galactopyranosyl]-N-9-Fmoc-L-serinePhenacylEster
Brand: Angene
SKU: AG00ADP9
Rating: 90 (10 reviews)

(S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-α-D-galactopyranosyl]-N-9-Fmoc-L-serinePhenacylEster

CAS No.:

171973-67-4

Catalog Number:

AG00ADP9

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00ADP9

Chemical Name:

(S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-α-D-galactopyranosyl]-N-9-Fmoc-L-serinePhenacylEster

CAS Number:

171973-67-4

MDL Number:

MFCD23160333

IUPAC Name:

[(6S,7S,8R,8aR)-7-acetamido-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate

InChI:

InChI=1S/C48H44N2O12/c1-29(51)49-41-43(61-44(53)31-17-7-3-8-18-31)42-40(28-58-46(62-42)32-19-9-4-10-20-32)60-47(41)57-26-38(45(54)56-27-39(52)30-15-5-2-6-16-30)50-48(55)59-25-37-35-23-13-11-21-33(35)34-22-12-14-24-36(34)37/h2-24,37-38,40-43,46-47H,25-28H2,1H3,(H,49,51)(H,50,55)/t38-,40?,41-,42-,43+,46?,47-/m0/s1

InChI Key:

FJDRGSPYAKZQMA-FWLMGMFLSA-N

Complexity:

1500

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

840.289g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

840.882g/mol

Monoisotopic Mass:

840.289g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

174A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.3