79389-52-9 - Angene

Ethyl 2,3,4,6-Tetra-O-acetyl-a-D-thiomannopyranoside(contains up to 20% beta isomer)

CAS No.:

79389-52-9

Catalog Number:

AG00G53S

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00G53S

Chemical Name:

Ethyl 2,3,4,6-Tetra-O-acetyl-a-D-thiomannopyranoside(contains up to 20% beta isomer)

CAS Number:

79389-52-9

MDL Number:

MFCD00269993

IUPAC Name:

[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate

InChI:

InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15+,16-/m1/s1

InChI Key:

YPNFVZQPWZMHIF-RBGFHDKUSA-N

Complexity:

536

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

392.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

392.419g/mol

Monoisotopic Mass:

392.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

140A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8