Name: Name:Hepta-O-acetyl-β-D-lactosyl-isothiocyanate
Brand: Angene
SKU: AG00GD2R
Rating: 90 (10 reviews)

Hepta-O-acetyl-β-D-lactosyl-isothiocyanate

CAS No.:

77489-36-2

Catalog Number:

AG00GD2R

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00GD2R

Chemical Name:

Hepta-O-acetyl-β-D-lactosyl-isothiocyanate

CAS Number:

77489-36-2

MDL Number:

MFCD09952968

IUPAC Name:

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-isothiocyanato-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

InChI:

InChI=1S/C27H35NO17S/c1-11(29)36-8-18-21(22(39-14(4)32)24(41-16(6)34)26(43-18)28-10-46)45-27-25(42-17(7)35)23(40-15(5)33)20(38-13(3)31)19(44-27)9-37-12(2)30/h18-27H,8-9H2,1-7H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

InChI Key:

ZEDXOYGZGOUVME-FDXOKOSPSA-N

Complexity:

1220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

677.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

677.627g/mol

Monoisotopic Mass:

677.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

256A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8