 Home > Encyclopedia > 3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one

3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one

3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one structure

CAS No:
152752-57-3
Formula:
C21H24N2O7
Chemical Name:
3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one
Synonyms:
Oxopropaline A; 3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-1-one;

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3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one Basic Attributes

Molecular Weight：

416.42400

Exact Mass：

416.15835111 g/mol

Characteristics

PSA：

145.13000

XLogP3：

0.41220

Density：

1.5g/cm3

Boiling Point：

765.5ºC

Flash Point：

416.8ºC

Refractive Index：

1.705

Vapor Pressure：

1.21E-24mmHg at 25°C

Drug Information

MeSH Entry Terms：

oxopropaline A

Computed Properties

Molecular Weight:416.4
XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:416.15835111
Monoisotopic Mass:416.15835111
Topological Polar Surface Area:145
Heavy Atom Count:30
Complexity:622
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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