Name: Name:1(2H)-Phthalazinone, 4-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-5(or 8)-amino- (9CI)
Brand: Angene
SKU: AG000YGT
Rating: 90 (10 reviews)

1(2H)-Phthalazinone, 4-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-5(or 8)-amino- (9CI)

CAS No.:

128879-80-1

Catalog Number:

AG000YGT

Molecular Formula:

Molecular Weight:

Catalog Number:

AG000YGT

Chemical Name:

1(2H)-Phthalazinone, 4-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-5(or 8)-amino- (9CI)

CAS Number:

128879-80-1

MDL Number:

MFCD00133677

IUPAC Name:

N-[(2S,3R,4R,5S,6R)-2-[(5-amino-4-oxo-3H-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChI:

InChI=1S/C16H20N4O7/c1-6(22)18-11-13(24)12(23)9(5-21)26-16(11)27-15-7-3-2-4-8(17)10(7)14(25)19-20-15/h2-4,9,11-13,16,21,23-24H,5,17H2,1H3,(H,18,22)(H,19,25)/t9-,11-,12-,13-,16+/m1/s1

InChI Key:

YLCXXNRWYKEOPP-CSTFGSAOSA-N

Complexity:

616

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

380.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

380.357g/mol

Monoisotopic Mass:

380.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

176A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2