Name: Name:Acetyldiethylstilbestrol 2,3,4-Tri-O-acetyl--D-glucuronide Methyl Ester
Brand: Angene
SKU: AG00C9OR
Rating: 90 (10 reviews)

Acetyldiethylstilbestrol 2,3,4-Tri-O-acetyl--D-glucuronide Methyl Ester

CAS No.:

40269-22-5

Catalog Number:

AG00C9OR

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00C9OR

Chemical Name:

Acetyldiethylstilbestrol 2,3,4-Tri-O-acetyl--D-glucuronide Methyl Ester

CAS Number:

40269-22-5

MDL Number:

MFCD12756092

IUPAC Name:

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylate

InChI:

InChI=1S/C33H38O12/c1-8-26(22-10-14-24(15-11-22)40-18(3)34)27(9-2)23-12-16-25(17-13-23)44-33-31(43-21(6)37)29(42-20(5)36)28(41-19(4)35)30(45-33)32(38)39-7/h10-17,28-31,33H,8-9H2,1-7H3/b27-26+/t28-,29-,30-,31+,33+/m0/s1

InChI Key:

LMEOVEVTJJLCOK-FCQDFCJFSA-N

Complexity:

1080

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

626.236g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

626.655g/mol

Monoisotopic Mass:

626.236g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

150A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6