Name: Name:D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate
Brand: Angene
SKU: AG00DM23
Rating: 90 (10 reviews)

D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate

CAS No.:

461432-28-0

Catalog Number:

AG00DM23

Molecular Formula:

C30H35ClO11

Molecular Weight:

607.0453

Catalog Number:

AG00DM23

Chemical Name:

D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate

CAS Number:

461432-28-0

Molecular Formula:

C30H35ClO11

Molecular Weight:

607.0453

MDL Number:

MFCD28386732

IUPAC Name:

[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methoxyoxan-2-yl]methyl acetate

InChI:

InChI=1S/C30H35ClO11/c1-7-37-24-11-8-21(9-12-24)14-22-15-23(10-13-25(22)31)30(36-6)29(41-20(5)35)28(40-19(4)34)27(39-18(3)33)26(42-30)16-38-17(2)32/h8-13,15,26-29H,7,14,16H2,1-6H3/t26-,27-,28+,29-,30?/m1/s1

InChI Key:

MBPMRVCKHDMVOU-MPUKMYDRSA-N

SMILES:

CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1(OC)O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

Complexity:

936

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

606.187g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

607.049g/mol

Monoisotopic Mass:

606.187g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9