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N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide structure

CAS No:
146440-32-6
Formula:
C19H26N2O7S
Chemical Name:
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide
Synonyms:
Methyl-N-dansylgalactosaminide; MDGA;

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N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Basic Attributes

Molecular Weight：

426.48400

Exact Mass：

426.14607235

DSSTox ID：

DTXSID90163375

Characteristics

PSA：

136.94000

XLogP3：

1.10980

Density：

1.45g/cm3

Boiling Point：

650.7ºC at 760mmHg

Flash Point：

347.4ºC

Refractive Index：

1.662

Vapor Pressure：

8.03E-18mmHg at 25°C

Drug Information

MeSH Entry Terms：

MDGA

Computed Properties

Molecular Weight:426.5
XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:426.14607235
Monoisotopic Mass:426.14607235
Topological Polar Surface Area:137
Heavy Atom Count:29
Complexity:641
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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