 Home > Encyclopedia > [(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

[(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

[(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate structure

CAS No:
104820-97-5
Formula:
C28H38N4O9
Chemical Name:
[(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

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[(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate Basic Attributes

Molecular Weight：

574.62300

Exact Mass：

574.26387880 g/mol

Characteristics

PSA：

214.91000

XLogP3：

0.89110

Density：

1.43g/cm3

Boiling Point：

817.5ºC

Flash Point：

448.2ºC

Refractive Index：

1.66

Vapor Pressure：

2.9E-28mmHg at 25°C

Drug Information

MeSH Entry Terms：

8''-hydroxypactamycin

Computed Properties

Molecular Weight:574.6
XLogP3:0.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:574.26387880
Monoisotopic Mass:574.26387880
Topological Polar Surface Area:215
Heavy Atom Count:41
Complexity:969
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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